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Organoheterocyclic compounds

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1 – 15 of 411 results
1

2-(3-Thienyl)ethanol, 97%

CAS: 13781-67-4 Molecular Formula: C6H8OS Molecular Weight (g/mol): 128.19 MDL Number: MFCD00009766 InChI Key: YYPNNBPPDFTQFX-UHFFFAOYSA-N Synonym: 2-thiophen-3-yl ethanol,3-thiopheneethanol,2-3-thienyl ethanol,thiophene-3-ethanol,3-2-hydroxyethyl thiophene,2-thiophen-3-yl ethan-1-ol,2-thien-3-yl ethan-1-ol,3-thiophene-ethanol,pubchem20415 PubChem CID: 83731 SMILES: OCCC1=CSC=C1

PubChem CID 83731
CAS 13781-67-4
Molecular Weight (g/mol) 128.19
MDL Number MFCD00009766
SMILES OCCC1=CSC=C1
Synonym 2-thiophen-3-yl ethanol,3-thiopheneethanol,2-3-thienyl ethanol,thiophene-3-ethanol,3-2-hydroxyethyl thiophene,2-thiophen-3-yl ethan-1-ol,2-thien-3-yl ethan-1-ol,3-thiophene-ethanol,pubchem20415
InChI Key YYPNNBPPDFTQFX-UHFFFAOYSA-N
Molecular Formula C6H8OS
2

2-(2-Thienyl)ethanol, 98%

CAS: 5402-55-1 Molecular Formula: C6H8OS Molecular Weight (g/mol): 128.19 MDL Number: MFCD00005462 InChI Key: VMJOFTHFJMLIKL-UHFFFAOYSA-N Synonym: 2-thiopheneethanol,2-2-thienyl ethanol,thiophene-2-ethanol,2-thiophen-2-yl ethanol,2-2-hydroxyethyl thiophene,2-thiophen-2-yl ethan-1-ol,ethanol, 2-2-thienyl,2-thiophenethanol,2-2-thienyl-ethanol,2-thienylethanol PubChem CID: 79400 IUPAC Name: 2-thiophen-2-ylethanol SMILES: OCCC1=CC=CS1

PubChem CID 79400
CAS 5402-55-1
Molecular Weight (g/mol) 128.19
MDL Number MFCD00005462
SMILES OCCC1=CC=CS1
Synonym 2-thiopheneethanol,2-2-thienyl ethanol,thiophene-2-ethanol,2-thiophen-2-yl ethanol,2-2-hydroxyethyl thiophene,2-thiophen-2-yl ethan-1-ol,ethanol, 2-2-thienyl,2-thiophenethanol,2-2-thienyl-ethanol,2-thienylethanol
IUPAC Name 2-thiophen-2-ylethanol
InChI Key VMJOFTHFJMLIKL-UHFFFAOYSA-N
Molecular Formula C6H8OS
3

1-(4-chlorophenyl)ethanol, 98%, Thermo Scientific™

CAS: 3391-10-4 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 InChI Key: MVOSNPUNXINWAD-UHFFFAOYNA-N Synonym: boc-gly-osu,boc-glycine n-hydroxysuccinimide ester,boc-glycine-n-hydroxysuccinimide ester,2,5-dioxopyrrolidin-1-yl 2-tert-butoxycarbonyl amino acetate,tert-butyl 2-2,5-dioxo-1-pyrrolidinyl oxy-2-oxoethyl carbamate,bocglyosu,2,5-dioxopyrrolidin-1-yl n-tert-butoxycarbonyl glycinate PubChem CID: 76926 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate SMILES: CC(O)C1=CC=C(Cl)C=C1

PubChem CID 76926
CAS 3391-10-4
Molecular Weight (g/mol) 156.61
SMILES CC(O)C1=CC=C(Cl)C=C1
Synonym boc-gly-osu,boc-glycine n-hydroxysuccinimide ester,boc-glycine-n-hydroxysuccinimide ester,2,5-dioxopyrrolidin-1-yl 2-tert-butoxycarbonyl amino acetate,tert-butyl 2-2,5-dioxo-1-pyrrolidinyl oxy-2-oxoethyl carbamate,bocglyosu,2,5-dioxopyrrolidin-1-yl n-tert-butoxycarbonyl glycinate
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
InChI Key MVOSNPUNXINWAD-UHFFFAOYNA-N
Molecular Formula C8H9ClO
4

2-(1,3-Benzodioxol-5-yl)ethanol, ≥97%, Thermo Scientific™

CAS: 6006-82-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00666033 InChI Key: JADSGOFBFPTCHG-UHFFFAOYSA-N Synonym: 2-benzo d 1,3 dioxol-5-yl ethanol,2-2h-1,3-benzodioxol-5-yl ethan-1-ol,3,4-methylenedioxy phenethyl alcohol,2-1,3-benzodioxol-5-yl ethanol,1,3-benzodioxole-5-ethanol,homopiperonyl alcohol,3,4-methylenedioxyphenethyl alcohol,2-1,3-benzodioxol-5-yl-ethanol,2-2h-1,3-benzodioxol-5-yl ethanol,benzodioxolylethanol PubChem CID: 2759846 IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethanol SMILES: C1OC2=C(O1)C=C(C=C2)CCO

PubChem CID 2759846
CAS 6006-82-2
Molecular Weight (g/mol) 166.176
MDL Number MFCD00666033
SMILES C1OC2=C(O1)C=C(C=C2)CCO
Synonym 2-benzo d 1,3 dioxol-5-yl ethanol,2-2h-1,3-benzodioxol-5-yl ethan-1-ol,3,4-methylenedioxy phenethyl alcohol,2-1,3-benzodioxol-5-yl ethanol,1,3-benzodioxole-5-ethanol,homopiperonyl alcohol,3,4-methylenedioxyphenethyl alcohol,2-1,3-benzodioxol-5-yl-ethanol,2-2h-1,3-benzodioxol-5-yl ethanol,benzodioxolylethanol
IUPAC Name 2-(1,3-benzodioxol-5-yl)ethanol
InChI Key JADSGOFBFPTCHG-UHFFFAOYSA-N
Molecular Formula C9H10O3
5

2-(2-Methyl-1,3-thiazol-4-yl)ethanol, 97%, Thermo Scientific™

CAS: 121357-04-8 Molecular Formula: C6H9NOS Molecular Weight (g/mol): 143.204 InChI Key: REKVZAFNJAMAQL-UHFFFAOYSA-N Synonym: 2-2-methyl-1,3-thiazol-4-yl ethanol,2-2-methylthiazol-4-yl ethanol,2-2-methyl-1,3-thiazol-4-yl ethan-1-ol,4-thiazoleethanol,2-methyl,2-2-methyl-4-thiazolyl ethanol,acmc-20duqt,2-methyl-4-thiazoleethanol,2-methylthiazole-4-ethanol,4-hydroxyethyl-2-methyl-1,3-thiazole PubChem CID: 19876739 IUPAC Name: 2-(2-methyl-1,3-thiazol-4-yl)ethanol SMILES: CC1=NC(=CS1)CCO

PubChem CID 19876739
CAS 121357-04-8
Molecular Weight (g/mol) 143.204
SMILES CC1=NC(=CS1)CCO
Synonym 2-2-methyl-1,3-thiazol-4-yl ethanol,2-2-methylthiazol-4-yl ethanol,2-2-methyl-1,3-thiazol-4-yl ethan-1-ol,4-thiazoleethanol,2-methyl,2-2-methyl-4-thiazolyl ethanol,acmc-20duqt,2-methyl-4-thiazoleethanol,2-methylthiazole-4-ethanol,4-hydroxyethyl-2-methyl-1,3-thiazole
IUPAC Name 2-(2-methyl-1,3-thiazol-4-yl)ethanol
InChI Key REKVZAFNJAMAQL-UHFFFAOYSA-N
Molecular Formula C6H9NOS
6

2-(4-Methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethanol, 95%, Thermo Scientific™

CAS: 898289-60-6 Molecular Formula: C10H14O2S Molecular Weight (g/mol): 198.28 MDL Number: MFCD09702404 InChI Key: UTWVZRFJFAVPIU-UHFFFAOYNA-N Synonym: 2-4-methyl-6,7-dihydro-4h-thieno 3,2-c pyran-4-yl ethanol,2-4-methyl-6h,7h-thieno 3,2-c pyran-4-yl ethanol,4h-thieno 3,2-c pyran-4-ethanol,6,7-dihydro-4-methyl,2-4-methyl-6,7-dihydro-4h-thieno 3,2-c pyran-4-yl ethan-1-ol,4-2-hydroxyethyl-4-methyl-6,7-dihydro-4h-thieno 3,2-c pyran,2-4-methyl-6,7-dihydro-4h-thiopheno 3,2-c pyran-4-yl ethan-1-ol PubChem CID: 24229641 SMILES: CC1(CCO)OCCC2=C1C=CS2

PubChem CID 24229641
CAS 898289-60-6
Molecular Weight (g/mol) 198.28
MDL Number MFCD09702404
SMILES CC1(CCO)OCCC2=C1C=CS2
Synonym 2-4-methyl-6,7-dihydro-4h-thieno 3,2-c pyran-4-yl ethanol,2-4-methyl-6h,7h-thieno 3,2-c pyran-4-yl ethanol,4h-thieno 3,2-c pyran-4-ethanol,6,7-dihydro-4-methyl,2-4-methyl-6,7-dihydro-4h-thieno 3,2-c pyran-4-yl ethan-1-ol,4-2-hydroxyethyl-4-methyl-6,7-dihydro-4h-thieno 3,2-c pyran,2-4-methyl-6,7-dihydro-4h-thiopheno 3,2-c pyran-4-yl ethan-1-ol
InChI Key UTWVZRFJFAVPIU-UHFFFAOYNA-N
Molecular Formula C10H14O2S
7

Thiamine hydrochloride, 99% (dry wt.), may cont. up to 5% water

CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

EDGE
PubChem CID 6202
CAS 67-03-8
Molecular Weight (g/mol) 337.263
ChEBI CHEBI:49105
MDL Number MFCD00012780
SMILES CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Synonym thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
IUPAC Name 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
InChI Key DPJRMOMPQZCRJU-UHFFFAOYSA-M
Molecular Formula C12H18Cl2N4OS
8

Gibberellic Acid, 90%

CAS: 77-06-5 Molecular Formula: C19H22O6 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00079329 InChI Key: IXORZMNAPKEEDV-QTWFBFKQSA-N Synonym: gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs PubChem CID: 91757643 IUPAC Name: (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid SMILES: CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O

EDGE
PubChem CID 91757643
CAS 77-06-5
Molecular Weight (g/mol) 346.38
MDL Number MFCD00079329
SMILES CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
Synonym gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs
IUPAC Name (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid
InChI Key IXORZMNAPKEEDV-QTWFBFKQSA-N
Molecular Formula C19H22O6
9

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

EDGE
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
10

Nicotinic acid, 99%

CAS: 59-67-6 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006391 InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N Synonym: nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil PubChem CID: 938 ChEBI: CHEBI:15940 IUPAC Name: pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1

EDGE
PubChem CID 938
CAS 59-67-6
Molecular Weight (g/mol) 123.11
ChEBI CHEBI:15940
MDL Number MFCD00006391
SMILES OC(=O)C1=CC=CN=C1
Synonym nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil
IUPAC Name pyridine-3-carboxylic acid
InChI Key PVNIIMVLHYAWGP-UHFFFAOYSA-N
Molecular Formula C6H5NO2
11

Fluorescamine

CAS: 38183-12-9 Molecular Formula: C17H10O4 Molecular Weight (g/mol): 278.26 MDL Number: MFCD00005928 InChI Key: ZFKJVJIDPQDDFY-UHFFFAOYNA-N Synonym: fluorescamine,fluram,spiro furan-2 3h ,1' 3'h-isobenzofuran-3,3'-dione, 4-phenyl,4'-phenylspiro 2-benzofuran-3,2'-furan-1,3'-dione,4-phenylspiro furan-2 3h ,1'-phthalan-3,3'-dione,4-phenylspiro furan-2 3h-1'-3'-h-isobenzofuran-3,3'-dione,zfkjvjidpqddfy-uhfffaoysa,4'-phenylspiro 2-benzofuran-3,2'-furan-1,3'-dion PubChem CID: 37927 SMILES: O=C1OC2(OC=C(C2=O)C2=CC=CC=C2)C2=CC=CC=C12

EDGE
PubChem CID 37927
CAS 38183-12-9
Molecular Weight (g/mol) 278.26
MDL Number MFCD00005928
SMILES O=C1OC2(OC=C(C2=O)C2=CC=CC=C2)C2=CC=CC=C12
Synonym fluorescamine,fluram,spiro furan-2 3h ,1' 3'h-isobenzofuran-3,3'-dione, 4-phenyl,4'-phenylspiro 2-benzofuran-3,2'-furan-1,3'-dione,4-phenylspiro furan-2 3h ,1'-phthalan-3,3'-dione,4-phenylspiro furan-2 3h-1'-3'-h-isobenzofuran-3,3'-dione,zfkjvjidpqddfy-uhfffaoysa,4'-phenylspiro 2-benzofuran-3,2'-furan-1,3'-dion
InChI Key ZFKJVJIDPQDDFY-UHFFFAOYNA-N
Molecular Formula C17H10O4
12

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

EDGE
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
13

Thermo Scientific Chemicals Phenol Red

CAS: 143-74-8 Molecular Formula: C19H14O5S Molecular Weight (g/mol): 354.38 MDL Number: MFCD00003552 InChI Key: BELBBZDIHDAJOR-UHFFFAOYSA-N Synonym: phenol red,phenolsulfonphthalein,fenolipuna,sulfonphthal,sulphental,sulphonthal,phenolsulphonphthalein,psp indicator,phenolsulfonephthalein,unii-i6g9y0j1oj PubChem CID: 4766 ChEBI: CHEBI:31991 SMILES: OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1

EDGE
PubChem CID 4766
CAS 143-74-8
Molecular Weight (g/mol) 354.38
ChEBI CHEBI:31991
MDL Number MFCD00003552
SMILES OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1
Synonym phenol red,phenolsulfonphthalein,fenolipuna,sulfonphthal,sulphental,sulphonthal,phenolsulphonphthalein,psp indicator,phenolsulfonephthalein,unii-i6g9y0j1oj
InChI Key BELBBZDIHDAJOR-UHFFFAOYSA-N
Molecular Formula C19H14O5S
14

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

EDGE
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
15

Picolinic acid, 99%

CAS: 98-98-6 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006293 InChI Key: SIOXPEMLGUPBBT-UHFFFAOYSA-N Synonym: picolinic acid,2-pyridinecarboxylic acid,2-picolinic acid,2-carboxypyridine,alpha-picolinic acid,o-pyridinecarboxylic acid,pyridinecarboxylic acid,alpha-pyridinecarboxylic acid,picolinate,acide picolique PubChem CID: 1018 ChEBI: CHEBI:28747 IUPAC Name: pyridine-2-carboxylic acid SMILES: C1=CC=NC(=C1)C(=O)O

EDGE
PubChem CID 1018
CAS 98-98-6
Molecular Weight (g/mol) 123.11
ChEBI CHEBI:28747
MDL Number MFCD00006293
SMILES C1=CC=NC(=C1)C(=O)O
Synonym picolinic acid,2-pyridinecarboxylic acid,2-picolinic acid,2-carboxypyridine,alpha-picolinic acid,o-pyridinecarboxylic acid,pyridinecarboxylic acid,alpha-pyridinecarboxylic acid,picolinate,acide picolique
IUPAC Name pyridine-2-carboxylic acid
InChI Key SIOXPEMLGUPBBT-UHFFFAOYSA-N
Molecular Formula C6H5NO2