Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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Thermo Scientific Chemicals D(+)-Biotin, 98%

CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12

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Specifications

PubChem CID	171548
CAS	58-85-5
Molecular Weight (g/mol)	244.31
ChEBI	CHEBI:15956
MDL Number	MFCD00005541
SMILES	OC(=O)CCCCC1SCC2NC(=O)NC12
Synonym	biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin
IUPAC Name	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
InChI Key	YBJHBAHKTGYVGT-UHFFFAOYNA-N
Molecular Formula	C10H16N2O3S

5-Fluorocytosine, 99+%

CAS: 2022-85-7 Molecular Formula: C4H4FN3O Molecular Weight (g/mol): 129.09 MDL Number: MFCD00006035,MFCD00179326,MFCD03547958 InChI Key: XRECTZIEBJDKEO-UHFFFAOYSA-N Synonym: 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine PubChem CID: 3366 ChEBI: CHEBI:5100 IUPAC Name: 6-amino-5-fluoro-1H-pyrimidin-2-one SMILES: NC1=C(F)C=NC(=O)N1

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Specifications

PubChem CID	3366
CAS	2022-85-7
Molecular Weight (g/mol)	129.09
ChEBI	CHEBI:5100
MDL Number	MFCD00006035,MFCD00179326,MFCD03547958
SMILES	NC1=C(F)C=NC(=O)N1
Synonym	5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine
IUPAC Name	6-amino-5-fluoro-1H-pyrimidin-2-one
InChI Key	XRECTZIEBJDKEO-UHFFFAOYSA-N
Molecular Formula	C4H4FN3O

Tris(2,2'-bipyridyl)ruthenium(II) chloride, hexahydrate, 98%

CAS: 50525-27-4 Molecular Formula: C30H36Cl2N6O6Ru Molecular Weight (g/mol): 748.62 MDL Number: MFCD00149670 InChI Key: WHELTKFSBJNBMQ-UHFFFAOYSA-L Synonym: tris 2,2'-bipyridyl ruthenium ii chloride hexahydrate PubChem CID: 131664161 IUPAC Name: 2-pyridin-2-ylpyridine;ruthenium(2+);dichloride;hydrate SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Ru++].C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1

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Specifications

PubChem CID	131664161
CAS	50525-27-4
Molecular Weight (g/mol)	748.62
MDL Number	MFCD00149670
SMILES	O.O.O.O.O.O.[Cl-].[Cl-].[Ru++].C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1
Synonym	tris 2,2'-bipyridyl ruthenium ii chloride hexahydrate
IUPAC Name	2-pyridin-2-ylpyridine;ruthenium(2+);dichloride;hydrate
InChI Key	WHELTKFSBJNBMQ-UHFFFAOYSA-L
Molecular Formula	C30H36Cl2N6O6Ru

Glycerol formal, 99+%, mixture of isomers, stabilized

CAS: 4740-78-7 | C₄H₈O₃ | 104.11 g/mol

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Specifications

Viscosity	16 mPa.s (20°C)
Boiling Point	193.0°C to 195.0°C
Molecular Weight (g/mol)	104.11
Physical Form	Liquid
Chemical Name or Material	Glycerol formal
Merck Index	14, 4485
Density	1.2100g/mL
Assay Percent Range	99% min. Sum of alpha-and beta-isomers (GC)
Name Note	99+%
Percent Purity	99+%
CAS	5464-28-8
Infrared Spectrum	Authentic
Health Hazard 3	GHS P Statement IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if present and easy to do. Continue rinsing. Wear protective gloves/protective clothing/eye protection/face protection. IF exposed o
MDL Number	MFCD00003218
Health Hazard 2	GHS H Statement Causes serious eye irritation. Suspected of damaging fertility or the unborn child.
Solubility Information	(50% in water) Clear
Packaging	Glass bottle
Flash Point	97°C
pH	4.0 to 6.5 (10% soln.)
Health Hazard 1	GHS Signal Word: Warning
Refractive Index	1.4500 to 1.4520
Molecular Formula	C₄H₈O₃
EINECS Number	225-248-9
Formula Weight	104.11
Specific Gravity	1.21

Tris(1,10-phenanthroline)iron(II) sulfate, 0.025M aqueous solution

CAS: 14634-91-4 Molecular Formula: C36H24FeN6O4S Molecular Weight (g/mol): 692.53 MDL Number: MFCD00036428 InChI Key: CIWXFRVOSDNDJZ-UHFFFAOYSA-L Synonym: ferroin,ferroin indicator solution,iron 2+ , tris 1,10-phenanthroline-.kappa.n1,.kappa.n10-, oc-6-11-, sulfate 1:1,ferroin sulfate,ferroin solution,1,10-phenanthroline ferrous sulfate,tris 1,10-phenanthroline-n1,n10 iron sulphate,ferrous 1,10-phenanthroline sulfate,ferroin indicator solution, 25 mmol/l,iron 2+ , tris 1,10-phenanthroline-kappan1,kappan10-, oc-6-11-, sulfate 1:1 PubChem CID: 84567 IUPAC Name: iron(2+);1,10-phenanthroline;sulfate SMILES: [Fe++].[O-]S([O-])(=O)=O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1.C1=CN=C2C(C=CC3=CC=CN=C23)=C1.C1=CN=C2C(C=CC3=CC=CN=C23)=C1

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Specifications

PubChem CID	84567
CAS	14634-91-4
Molecular Weight (g/mol)	692.53
MDL Number	MFCD00036428
SMILES	[Fe++].[O-]S([O-])(=O)=O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1.C1=CN=C2C(C=CC3=CC=CN=C23)=C1.C1=CN=C2C(C=CC3=CC=CN=C23)=C1
Synonym	ferroin,ferroin indicator solution,iron 2+ , tris 1,10-phenanthroline-.kappa.n1,.kappa.n10-, oc-6-11-, sulfate 1:1,ferroin sulfate,ferroin solution,1,10-phenanthroline ferrous sulfate,tris 1,10-phenanthroline-n1,n10 iron sulphate,ferrous 1,10-phenanthroline sulfate,ferroin indicator solution, 25 mmol/l,iron 2+ , tris 1,10-phenanthroline-kappan1,kappan10-, oc-6-11-, sulfate 1:1
IUPAC Name	iron(2+);1,10-phenanthroline;sulfate
InChI Key	CIWXFRVOSDNDJZ-UHFFFAOYSA-L
Molecular Formula	C36H24FeN6O4S

2-Pyrrolidinone, 99%

CAS: 616-45-5 Molecular Formula: C₄H₇NO Molecular Weight (g/mol): 85.11 MDL Number: MFCD00005270 InChI Key: HNJBEVLQSNELDL-UHFFFAOYSA-N Synonym: 2-pyrrolidinone,pyrrolidone,butyrolactam,2-pyrrolidone,2-oxopyrrolidine,pyrrolidon,2-ketopyrrolidine,2-pyrol,pyrrolidinone,gamma-butyrolactam PubChem CID: 12025 ChEBI: CHEBI:36592 IUPAC Name: pyrrolidin-2-one SMILES: C1CC(=O)NC1

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Specifications

PubChem CID	12025
CAS	616-45-5
Molecular Weight (g/mol)	85.11
ChEBI	CHEBI:36592
MDL Number	MFCD00005270
SMILES	C1CC(=O)NC1
Synonym	2-pyrrolidinone,pyrrolidone,butyrolactam,2-pyrrolidone,2-oxopyrrolidine,pyrrolidon,2-ketopyrrolidine,2-pyrol,pyrrolidinone,gamma-butyrolactam
IUPAC Name	pyrrolidin-2-one
InChI Key	HNJBEVLQSNELDL-UHFFFAOYSA-N
Molecular Formula	C₄H₇NO

Isonicotinic acid, 99%

CAS: 55-22-1 Molecular Formula: C₆H₅NO₂ Molecular Weight (g/mol): 123.11 InChI Key: TWBYWOBDOCUKOW-UHFFFAOYSA-N Synonym: isonicotinic acid,4-pyridinecarboxylic acid,4-picolinic acid,4-carboxypyridine,p-pyridinecarboxylic acid,gamma-picolinic acid,gamma-pyridinecarboxylic acid,acide iso-nicotinique,1,4-dihydroisonicotinic acid,acide iso-nicotinique french PubChem CID: 5922 ChEBI: CHEBI:6032 IUPAC Name: pyridine-4-carboxylic acid SMILES: C1=CN=CC=C1C(=O)O

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PubChem CID	5922
CAS	55-22-1
Molecular Weight (g/mol)	123.11
ChEBI	CHEBI:6032
SMILES	C1=CN=CC=C1C(=O)O
Synonym	isonicotinic acid,4-pyridinecarboxylic acid,4-picolinic acid,4-carboxypyridine,p-pyridinecarboxylic acid,gamma-picolinic acid,gamma-pyridinecarboxylic acid,acide iso-nicotinique,1,4-dihydroisonicotinic acid,acide iso-nicotinique french
IUPAC Name	pyridine-4-carboxylic acid
InChI Key	TWBYWOBDOCUKOW-UHFFFAOYSA-N
Molecular Formula	C₆H₅NO₂

Melamine, 99%

CAS: 108-78-1 Molecular Formula: C3H6N6 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00006055 InChI Key: JDSHMPZPIAZGSV-UHFFFAOYSA-N Synonym: melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr PubChem CID: 7955 ChEBI: CHEBI:27915 IUPAC Name: 1,3,5-triazine-2,4,6-triamine SMILES: NC1=NC(N)=NC(N)=N1

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Specifications

PubChem CID	7955
CAS	108-78-1
Molecular Weight (g/mol)	126.12
ChEBI	CHEBI:27915
MDL Number	MFCD00006055
SMILES	NC1=NC(N)=NC(N)=N1
Synonym	melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr
IUPAC Name	1,3,5-triazine-2,4,6-triamine
InChI Key	JDSHMPZPIAZGSV-UHFFFAOYSA-N
Molecular Formula	C3H6N6

Coelenterazine, native, Aequorea sp., Thermo Scientific Chemicals

CAS: 55779-48-1 Molecular Formula: C26H21N3O3 Molecular Weight (g/mol): 423.472 MDL Number: MFCD00467176 InChI Key: YHIPILPTUVMWQT-UHFFFAOYSA-N Synonym: coelenterazine,oplophorus luciferin,unii-3o1cb88rrd,clzn,coelenterate luciferin,coelenterazine, native,3o1cb88rrd,8-benzyl-2-4-hydroxybenzyl-6-4-hydroxyphenyl imidazo 1,2-a pyrazin-3 7h-one,2-p-hydroxybenzyl-6-p-hydroxyphenyl-8-benzylimidazo 1,2-a pyrazin-3-7h-one,3,2-dihydro-2-p-hydroxybenzyl-6-p-hydroxyphenyl-8-benzylimidazolo 1,2-a pyrazin-3-one PubChem CID: 2830 ChEBI: CHEBI:2311 IUPAC Name: 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7H-imidazo[1,2-a]pyrazin-3-one SMILES: C1=CC=C(C=C1)CC2=C3N=C(C(=O)N3C=C(N2)C4=CC=C(C=C4)O)CC5=CC=C(C=C5)O

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Specifications

PubChem CID	2830
CAS	55779-48-1
Molecular Weight (g/mol)	423.472
ChEBI	CHEBI:2311
MDL Number	MFCD00467176
SMILES	C1=CC=C(C=C1)CC2=C3N=C(C(=O)N3C=C(N2)C4=CC=C(C=C4)O)CC5=CC=C(C=C5)O
Synonym	coelenterazine,oplophorus luciferin,unii-3o1cb88rrd,clzn,coelenterate luciferin,coelenterazine, native,3o1cb88rrd,8-benzyl-2-4-hydroxybenzyl-6-4-hydroxyphenyl imidazo 1,2-a pyrazin-3 7h-one,2-p-hydroxybenzyl-6-p-hydroxyphenyl-8-benzylimidazo 1,2-a pyrazin-3-7h-one,3,2-dihydro-2-p-hydroxybenzyl-6-p-hydroxyphenyl-8-benzylimidazolo 1,2-a pyrazin-3-one
IUPAC Name	8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7H-imidazo[1,2-a]pyrazin-3-one
InChI Key	YHIPILPTUVMWQT-UHFFFAOYSA-N
Molecular Formula	C26H21N3O3

Pyridoxal hydrochloride, 99%

CAS: 65-22-5 Molecular Formula: C₈H₉NO₃·HCl Molecular Weight (g/mol): 203.62 MDL Number: MFCD00012809 InChI Key: FCHXJFJNDJXENQ-UHFFFAOYSA-N Synonym: pyridoxal hydrochloride,pyridoxal hcl,vitamin b6 hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride,unii-1416kf0qbc,2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride,pl hcl,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, hydrochloride,3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridinecarboxaldehyde hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carbaldehyde hydrochloride PubChem CID: 6171 IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride SMILES: CC1=NC=C(C(=C1O)C=O)CO.Cl

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Specifications

PubChem CID	6171
CAS	65-22-5
Molecular Weight (g/mol)	203.62
MDL Number	MFCD00012809
SMILES	CC1=NC=C(C(=C1O)C=O)CO.Cl
Synonym	pyridoxal hydrochloride,pyridoxal hcl,vitamin b6 hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride,unii-1416kf0qbc,2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride,pl hcl,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, hydrochloride,3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridinecarboxaldehyde hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carbaldehyde hydrochloride
IUPAC Name	3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride
InChI Key	FCHXJFJNDJXENQ-UHFFFAOYSA-N
Molecular Formula	C₈H₉NO₃·HCl

Thermo Scientific Chemicals D-Cycloserine, 98%

CAS: 68-41-7 Molecular Formula: C₃H₆N₂O₂ Molecular Weight (g/mol): 102.09 MDL Number: MFCD00005353 InChI Key: DYDCUQKUCUHJBH-UWTATZPHSA-N Synonym: d-cycloserine,cycloserine,seromycin,orientomycin,oxamycin,cyclorin,cyclo-d-serine,cicloserina,farmiserina,miroseryn PubChem CID: 6234 ChEBI: CHEBI:40009 IUPAC Name: (4R)-4-amino-1,2-oxazolidin-3-one SMILES: C1C(C(=O)NO1)N

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Specifications

PubChem CID	6234
CAS	68-41-7
Molecular Weight (g/mol)	102.09
ChEBI	CHEBI:40009
MDL Number	MFCD00005353
SMILES	C1C(C(=O)NO1)N
Synonym	d-cycloserine,cycloserine,seromycin,orientomycin,oxamycin,cyclorin,cyclo-d-serine,cicloserina,farmiserina,miroseryn
IUPAC Name	(4R)-4-amino-1,2-oxazolidin-3-one
InChI Key	DYDCUQKUCUHJBH-UWTATZPHSA-N
Molecular Formula	C₃H₆N₂O₂

Bathocuproinedisulfonic acid, disodium salt hydrate, 97%

CAS: 1257642-74-2 Molecular Formula: C26H18N2Na2O6S2 Molecular Weight (g/mol): 564.54 MDL Number: MFCD00149974 InChI Key: RNGKZLRAVYPLJC-UHFFFAOYSA-L Synonym: disodium bathocuproinedisulfonate,sodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate,bathocuproinedisulfonic acid sodium salt,2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate,2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate disodium salt,dipotassium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate,disodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate PubChem CID: 15678335 IUPAC Name: disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate SMILES: [Na+].[Na+].CC1=NC2=C(C=CC3=C2N=C(C)C(=C3C2=CC=CC=C2)S([O-])(=O)=O)C(C2=CC=CC=C2)=C1S([O-])(=O)=O

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Specifications

PubChem CID	15678335
CAS	1257642-74-2
Molecular Weight (g/mol)	564.54
MDL Number	MFCD00149974
SMILES	[Na+].[Na+].CC1=NC2=C(C=CC3=C2N=C(C)C(=C3C2=CC=CC=C2)S([O-])(=O)=O)C(C2=CC=CC=C2)=C1S([O-])(=O)=O
Synonym	disodium bathocuproinedisulfonate,sodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate,bathocuproinedisulfonic acid sodium salt,2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate,2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate disodium salt,dipotassium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate,disodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate
IUPAC Name	disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate
InChI Key	RNGKZLRAVYPLJC-UHFFFAOYSA-L
Molecular Formula	C26H18N2Na2O6S2

4,5-Dicyanoimidazole, 99%

CAS: 1122-28-7 Molecular Formula: C5H2N4 Molecular Weight (g/mol): 118.10 MDL Number: MFCD00005194 InChI Key: XGDRLCRGKUCBQL-UHFFFAOYSA-N PubChem CID: 70729 IUPAC Name: 1H-imidazole-4,5-dicarbonitrile SMILES: N#CC1=C(N=CN1)C#N

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Specifications

PubChem CID	70729
CAS	1122-28-7
Molecular Weight (g/mol)	118.10
MDL Number	MFCD00005194
SMILES	N#CC1=C(N=CN1)C#N
IUPAC Name	1H-imidazole-4,5-dicarbonitrile
InChI Key	XGDRLCRGKUCBQL-UHFFFAOYSA-N
Molecular Formula	C5H2N4

gamma-Undecalactone, 98%

CAS: 104-67-6 Molecular Formula: C₁₁H₂₀O₂ Molecular Weight (g/mol): 184.28 MDL Number: MFCD00005405 InChI Key: PHXATPHONSXBIL-UHFFFAOYSA-N Synonym: gamma-undecalactone,4-undecanolide,5-heptyldihydrofuran-2 3h-one,persicol,1,4-undecanolide,peach aldehyde,peach lactone,2 3h-furanone, 5-heptyldihydro,aldehyde c-14 peach,gamma-undecanolactone PubChem CID: 7714 IUPAC Name: 5-heptyloxolan-2-one SMILES: CCCCCCCC1CCC(=O)O1

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Specifications

PubChem CID	7714
CAS	104-67-6
Molecular Weight (g/mol)	184.28
MDL Number	MFCD00005405
SMILES	CCCCCCCC1CCC(=O)O1
Synonym	gamma-undecalactone,4-undecanolide,5-heptyldihydrofuran-2 3h-one,persicol,1,4-undecanolide,peach aldehyde,peach lactone,2 3h-furanone, 5-heptyldihydro,aldehyde c-14 peach,gamma-undecanolactone
IUPAC Name	5-heptyloxolan-2-one
InChI Key	PHXATPHONSXBIL-UHFFFAOYSA-N
Molecular Formula	C₁₁H₂₀O₂

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Caffeine, 98.5%, specified according to the req. of USP/BP

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

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Specifications

PubChem CID	2519
CAS	58-08-2
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:27732
MDL Number	MFCD00005758
SMILES	CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym	caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name	1,3,7-trimethylpurine-2,6-dione
InChI Key	RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula	C8H10N4O2

Organoheterocyclic compounds

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