Organoheterocyclic compounds
Filtered Search Results
Phthalocyanine
CAS: 574-93-6 Molecular Formula: C32H18N8 Molecular Weight (g/mol): 514.552 MDL Number: MFCD00005085 InChI Key: IEQIEDJGQAUEQZ-UHFFFAOYSA-N Synonym: phthalocyanine,pigment blue 16,29h,31h-phthalocyanine,phthalocyanin,heliogen blue g,polymon blue g,lionol blue kw,irgazin blue 3gt,ftalocianina,ci pigment blue 16 PubChem CID: 5282330 ChEBI: CHEBI:34921 SMILES: C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C(N4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3
| PubChem CID | 5282330 |
|---|---|
| CAS | 574-93-6 |
| Molecular Weight (g/mol) | 514.552 |
| ChEBI | CHEBI:34921 |
| MDL Number | MFCD00005085 |
| SMILES | C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C(N4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3 |
| Synonym | phthalocyanine,pigment blue 16,29h,31h-phthalocyanine,phthalocyanin,heliogen blue g,polymon blue g,lionol blue kw,irgazin blue 3gt,ftalocianina,ci pigment blue 16 |
| InChI Key | IEQIEDJGQAUEQZ-UHFFFAOYSA-N |
| Molecular Formula | C32H18N8 |
Creatinine, 98%
CAS: 60-27-5 Molecular Formula: C4H7N3O Molecular Weight (g/mol): 113.12 MDL Number: MFCD00059730 InChI Key: DDRJAANPRJIHGJ-UHFFFAOYSA-N Synonym: creatinine,2-imino-1-methylimidazolidin-4-one,1-methylglycocyamidine,1-methylhydantoin-2-imide,creatinine,heated,4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl,2-amino-1-methylimidazolin-4-one,creatinina,kreatinin,unii-ayi8ex34eu PubChem CID: 588 ChEBI: CHEBI:16737 IUPAC Name: 2-amino-3-methyl-4H-imidazol-5-one SMILES: CN1CC(=O)N=C1N
| PubChem CID | 588 |
|---|---|
| CAS | 60-27-5 |
| Molecular Weight (g/mol) | 113.12 |
| ChEBI | CHEBI:16737 |
| MDL Number | MFCD00059730 |
| SMILES | CN1CC(=O)N=C1N |
| Synonym | creatinine,2-imino-1-methylimidazolidin-4-one,1-methylglycocyamidine,1-methylhydantoin-2-imide,creatinine,heated,4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl,2-amino-1-methylimidazolin-4-one,creatinina,kreatinin,unii-ayi8ex34eu |
| IUPAC Name | 2-amino-3-methyl-4H-imidazol-5-one |
| InChI Key | DDRJAANPRJIHGJ-UHFFFAOYSA-N |
| Molecular Formula | C4H7N3O |
Bis(pinacolato)diboron, 98%
CAS: 73183-34-3 Molecular Formula: C12H24B2O4 Molecular Weight (g/mol): 253.94 MDL Number: MFCD00799570 InChI Key: IPWKHHSGDUIRAH-UHFFFAOYSA-N Synonym: bis pinacolato diboron,bis pinacolato diborane,4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi 1,3,2-dioxaborolane,pinacol diborane,diboron pinacol ester,b2pin2,4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-tetramethyl-1,3,2-dioxaborolan-2-yl-1,3,2-dioxaborolane,bispinacolate diboron,unii-i906w26p4u PubChem CID: 2733548 IUPAC Name: 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 2733548 |
|---|---|
| CAS | 73183-34-3 |
| Molecular Weight (g/mol) | 253.94 |
| MDL Number | MFCD00799570 |
| SMILES | CC1(C)OB(OC1(C)C)B1OC(C)(C)C(C)(C)O1 |
| Synonym | bis pinacolato diboron,bis pinacolato diborane,4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi 1,3,2-dioxaborolane,pinacol diborane,diboron pinacol ester,b2pin2,4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-tetramethyl-1,3,2-dioxaborolan-2-yl-1,3,2-dioxaborolane,bispinacolate diboron,unii-i906w26p4u |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane |
| InChI Key | IPWKHHSGDUIRAH-UHFFFAOYSA-N |
| Molecular Formula | C12H24B2O4 |
1-Butyl-3-methylimidazolium hexafluorophosphate, 98+%
CAS: 174501-64-5 Molecular Formula: C8H15F6N2P Molecular Weight (g/mol): 284.19 MDL Number: MFCD03093295 InChI Key: IXQYBUDWDLYNMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate PubChem CID: 2734174 SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
| PubChem CID | 2734174 |
|---|---|
| CAS | 174501-64-5 |
| Molecular Weight (g/mol) | 284.19 |
| MDL Number | MFCD03093295 |
| SMILES | F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1 |
| Synonym | 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate |
| InChI Key | IXQYBUDWDLYNMA-UHFFFAOYSA-N |
| Molecular Formula | C8H15F6N2P |
Iron(II) phthalocyanine, 96%
CAS: 132-16-1 Molecular Formula: C32H16FeN8 Molecular Weight (g/mol): 568.38 MDL Number: MFCD00015953 InChI Key: MIINHRNQLVVCEW-UHFFFAOYSA-N Synonym: iron phthalocyanine,iron ii phthalocyanine,ferrous phthalocyanine,phthalocyanine iron ii,fepc,29h,31h-phthalocyaninato 2--n29,n30,n31,n32 iron,iron, 29h,31h-phthalocyaninato 2--n29,n39,n31,n32-, sp-4-1,iron, 29h,31h-phthalocyaninato 2--kappan29,kappan30,kappan31,kappan32-, sp-4-1 PubChem CID: 2735065 IUPAC Name: λ²-iron(2+) 2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1³,¹⁰.1¹²,¹⁹.1²¹,²⁸.0⁴,⁹.0¹³,¹⁸.0²²,²⁷.0³¹,³⁶]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaene-37,39-diide SMILES: [Fe++].[N-]1C2=NC3=NC(=NC4=C5C=CC=CC5=C([N-]4)N=C4N=C(N=C1C1=CC=CC=C21)C1=CC=CC=C41)C1=CC=CC=C31
| PubChem CID | 2735065 |
|---|---|
| CAS | 132-16-1 |
| Molecular Weight (g/mol) | 568.38 |
| MDL Number | MFCD00015953 |
| SMILES | [Fe++].[N-]1C2=NC3=NC(=NC4=C5C=CC=CC5=C([N-]4)N=C4N=C(N=C1C1=CC=CC=C21)C1=CC=CC=C41)C1=CC=CC=C31 |
| Synonym | iron phthalocyanine,iron ii phthalocyanine,ferrous phthalocyanine,phthalocyanine iron ii,fepc,29h,31h-phthalocyaninato 2--n29,n30,n31,n32 iron,iron, 29h,31h-phthalocyaninato 2--n29,n39,n31,n32-, sp-4-1,iron, 29h,31h-phthalocyaninato 2--kappan29,kappan30,kappan31,kappan32-, sp-4-1 |
| IUPAC Name | λ²-iron(2+) 2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1³,¹⁰.1¹²,¹⁹.1²¹,²⁸.0⁴,⁹.0¹³,¹⁸.0²²,²⁷.0³¹,³⁶]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaene-37,39-diide |
| InChI Key | MIINHRNQLVVCEW-UHFFFAOYSA-N |
| Molecular Formula | C32H16FeN8 |
Thermo Scientific Chemicals DL-Thioctic Acid, 98+%
CAS: 1077-28-7 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N Synonym: dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid PubChem CID: 864 ChEBI: CHEBI:16494 IUPAC Name: 5-(dithiolan-3-yl)pentanoic acid SMILES: OC(=O)CCCCC1CCSS1
| PubChem CID | 864 |
|---|---|
| CAS | 1077-28-7 |
| Molecular Weight (g/mol) | 206.32 |
| ChEBI | CHEBI:16494 |
| MDL Number | MFCD00005474 |
| SMILES | OC(=O)CCCCC1CCSS1 |
| Synonym | dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid |
| IUPAC Name | 5-(dithiolan-3-yl)pentanoic acid |
| InChI Key | AGBQKNBQESQNJD-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2S2 |
Xanthine, 98%
CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2
| PubChem CID | 1188 |
|---|---|
| CAS | 69-89-6 |
| Molecular Weight (g/mol) | 152.11 |
| ChEBI | CHEBI:17712 |
| MDL Number | MFCD00078453 |
| SMILES | C1=NC2=C(N1)C(=O)NC(=O)N2 |
| Synonym | xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol |
| IUPAC Name | 3,7-dihydropurine-2,6-dione |
| InChI Key | LRFVTYWOQMYALW-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O2 |
N-Hydroxysuccinimide, 98+%
CAS: 6066-82-6 Molecular Formula: C4H5NO3 Molecular Weight (g/mol): 115.09 MDL Number: MFCD00005516 InChI Key: NQTADLQHYWFPDB-UHFFFAOYSA-N Synonym: n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604 PubChem CID: 80170 IUPAC Name: 1-hydroxypyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)O
| PubChem CID | 80170 |
|---|---|
| CAS | 6066-82-6 |
| Molecular Weight (g/mol) | 115.09 |
| MDL Number | MFCD00005516 |
| SMILES | C1CC(=O)N(C1=O)O |
| Synonym | n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604 |
| IUPAC Name | 1-hydroxypyrrolidine-2,5-dione |
| InChI Key | NQTADLQHYWFPDB-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO3 |
Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%
CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 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-]
| PubChem CID | 6202 |
|---|---|
| CAS | 67-03-8 |
| Molecular Weight (g/mol) | 337.26 |
| 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 | C12H17ClN4OS·HCl |
1,8-Cineole, 99%
CAS: 470-82-6 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00167977 InChI Key: WEEGYLXZBRQIMU-UHFFFAOYSA-N Synonym: eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan PubChem CID: 2758 IUPAC Name: 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane SMILES: CC12CCC(CC1)C(C)(C)O2
| PubChem CID | 2758 |
|---|---|
| CAS | 470-82-6 |
| Molecular Weight (g/mol) | 154.25 |
| MDL Number | MFCD00167977 |
| SMILES | CC12CCC(CC1)C(C)(C)O2 |
| Synonym | eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan |
| IUPAC Name | 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane |
| InChI Key | WEEGYLXZBRQIMU-UHFFFAOYSA-N |
| Molecular Formula | C10H18O |
Pentafluoropyridine, 99+%
CAS: 700-16-3 Molecular Formula: C5F5N Molecular Weight (g/mol): 169.05 MDL Number: MFCD00006225 InChI Key: XTGOWLIKIQLYRG-UHFFFAOYSA-N Synonym: pentafluoropyridine,perfluoropyridine,pyridine, pentafluoro,pentafluorpyridin,pubchem9299,acmc-1bl6p,2,3,4,5,6-pentafluoro-pyridine PubChem CID: 69690 IUPAC Name: 2,3,4,5,6-pentafluoropyridine SMILES: C1(=C(C(=NC(=C1F)F)F)F)F
| PubChem CID | 69690 |
|---|---|
| CAS | 700-16-3 |
| Molecular Weight (g/mol) | 169.05 |
| MDL Number | MFCD00006225 |
| SMILES | C1(=C(C(=NC(=C1F)F)F)F)F |
| Synonym | pentafluoropyridine,perfluoropyridine,pyridine, pentafluoro,pentafluorpyridin,pubchem9299,acmc-1bl6p,2,3,4,5,6-pentafluoro-pyridine |
| IUPAC Name | 2,3,4,5,6-pentafluoropyridine |
| InChI Key | XTGOWLIKIQLYRG-UHFFFAOYSA-N |
| Molecular Formula | C5F5N |
2,6-Lutidine, 99%
CAS: 108-48-5 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00006345 InChI Key: OISVCGZHLKNMSJ-UHFFFAOYSA-N Synonym: 2,6-lutidine,lutidine,pyridine, 2,6-dimethyl,2,6-dimethypyridine,alpha,alpha'-lutidine,alpha,alpha'-dimethylpyridine,2,6-dimethyl-pyridine,hsdb 79,unii-15fq5d0t3p,2,6-lutidene PubChem CID: 7937 ChEBI: CHEBI:32548 IUPAC Name: 2,6-dimethylpyridine SMILES: CC1=CC=CC(C)=N1
| PubChem CID | 7937 |
|---|---|
| CAS | 108-48-5 |
| Molecular Weight (g/mol) | 107.16 |
| ChEBI | CHEBI:32548 |
| MDL Number | MFCD00006345 |
| SMILES | CC1=CC=CC(C)=N1 |
| Synonym | 2,6-lutidine,lutidine,pyridine, 2,6-dimethyl,2,6-dimethypyridine,alpha,alpha'-lutidine,alpha,alpha'-dimethylpyridine,2,6-dimethyl-pyridine,hsdb 79,unii-15fq5d0t3p,2,6-lutidene |
| IUPAC Name | 2,6-dimethylpyridine |
| InChI Key | OISVCGZHLKNMSJ-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
2,4-Lutidine, 98+%
CAS: 108-47-4 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00006337 InChI Key: JYYNAJVZFGKDEQ-UHFFFAOYSA-N Synonym: 2,4-lutidine,pyridine, 2,4-dimethyl,alpha,gamma-dimethylpyridine,2,4-lutidene,unii-83903uj0ww,2,4-dimethyl-pyridine,.alpha.,.gamma.-dimethylpyridine,2,4-dimethyl pyridine,2.4-lutidine,2,4 lutidine PubChem CID: 7936 IUPAC Name: 2,4-dimethylpyridine SMILES: CC1=CC=NC(C)=C1
| PubChem CID | 7936 |
|---|---|
| CAS | 108-47-4 |
| Molecular Weight (g/mol) | 107.16 |
| MDL Number | MFCD00006337 |
| SMILES | CC1=CC=NC(C)=C1 |
| Synonym | 2,4-lutidine,pyridine, 2,4-dimethyl,alpha,gamma-dimethylpyridine,2,4-lutidene,unii-83903uj0ww,2,4-dimethyl-pyridine,.alpha.,.gamma.-dimethylpyridine,2,4-dimethyl pyridine,2.4-lutidine,2,4 lutidine |
| IUPAC Name | 2,4-dimethylpyridine |
| InChI Key | JYYNAJVZFGKDEQ-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
2,3-Dimethylfuran, 99%
CAS: 14920-89-9 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.13 MDL Number: MFCD00153893 InChI Key: FJSKXQVRKZTKSI-UHFFFAOYSA-N Synonym: furan, dimethyl,dimethylfuran,dimethyl furane,dimethyl furan,2,3-dimethyl-furan,furan, 2,3-dimethyl,4,5-dimethylfuran,2,3-dimethylfuran,acmc-1c70a PubChem CID: 34337 IUPAC Name: 2,3-dimethylfuran SMILES: CC1=C(C)C=CO1
| PubChem CID | 34337 |
|---|---|
| CAS | 14920-89-9 |
| Molecular Weight (g/mol) | 96.13 |
| MDL Number | MFCD00153893 |
| SMILES | CC1=C(C)C=CO1 |
| Synonym | furan, dimethyl,dimethylfuran,dimethyl furane,dimethyl furan,2,3-dimethyl-furan,furan, 2,3-dimethyl,4,5-dimethylfuran,2,3-dimethylfuran,acmc-1c70a |
| IUPAC Name | 2,3-dimethylfuran |
| InChI Key | FJSKXQVRKZTKSI-UHFFFAOYSA-N |
| Molecular Formula | C6H8O |