Organic compounds
Organic compounds are a class of chemical compounds that contain one or more atoms of carbon covalently bonded to each other and atoms of other elements such as hydrogen, oxygen, nitrogen, sulfur, etc.
Compounds or allotropes of carbon that contain only carbon atoms are classified as inorganic compounds and exhibit novel properties.
This class of chemicals has a wide range of applications and includes graphite, diamond, and the more recently discovered graphene, fullerenes, and other carbon nanotubes. In fact, the majority of elements in the periodic table of elements are inorganic compounds.
Filtered Search Results
2-Ethylimidazole, 98%
CAS: 1072-62-4 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005192 InChI Key: PQAMFDRRWURCFQ-UHFFFAOYSA-N Synonym: 2-ethylimidazole,1h-imidazole, 2-ethyl,imidazole, 2-ethyl,2-ethylimidazole 98+%,2ez,2-ethylimdazole,2-ethyl imidazole,2-ethyl-imidazole,pubchem15972 PubChem CID: 66130 IUPAC Name: 2-ethyl-1H-imidazole SMILES: CCC1=NC=CN1
| PubChem CID | 66130 |
|---|---|
| CAS | 1072-62-4 |
| Molecular Weight (g/mol) | 96.13 |
| MDL Number | MFCD00005192 |
| SMILES | CCC1=NC=CN1 |
| Synonym | 2-ethylimidazole,1h-imidazole, 2-ethyl,imidazole, 2-ethyl,2-ethylimidazole 98+%,2ez,2-ethylimdazole,2-ethyl imidazole,2-ethyl-imidazole,pubchem15972 |
| IUPAC Name | 2-ethyl-1H-imidazole |
| InChI Key | PQAMFDRRWURCFQ-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2 |
2,4-Dimethoxybenzeneboronic acid, 98%
CAS: 133730-34-4 Molecular Formula: C8H11BO4 Molecular Weight (g/mol): 181.982 MDL Number: MFCD01074590 InChI Key: SQTUYFKNCCBFRR-UHFFFAOYSA-N Synonym: 2,4-dimethoxybenzeneboronic acid,2,4-dimethoxyphenyl boronic acid,2,4-dimethoxyphenyl boranediol,boronic acid, 2,4-dimethoxyphenyl,2,4-dimethoxybenzene boronic acid,boronic acid, b-2,4-dimethoxyphenyl,pubchem1823,acmc-209btd,ksc174i6j,2,4-dimethoxyphenylboronicacid PubChem CID: 2734341 IUPAC Name: (2,4-dimethoxyphenyl)boronic acid SMILES: B(C1=C(C=C(C=C1)OC)OC)(O)O
| PubChem CID | 2734341 |
|---|---|
| CAS | 133730-34-4 |
| Molecular Weight (g/mol) | 181.982 |
| MDL Number | MFCD01074590 |
| SMILES | B(C1=C(C=C(C=C1)OC)OC)(O)O |
| Synonym | 2,4-dimethoxybenzeneboronic acid,2,4-dimethoxyphenyl boronic acid,2,4-dimethoxyphenyl boranediol,boronic acid, 2,4-dimethoxyphenyl,2,4-dimethoxybenzene boronic acid,boronic acid, b-2,4-dimethoxyphenyl,pubchem1823,acmc-209btd,ksc174i6j,2,4-dimethoxyphenylboronicacid |
| IUPAC Name | (2,4-dimethoxyphenyl)boronic acid |
| InChI Key | SQTUYFKNCCBFRR-UHFFFAOYSA-N |
| Molecular Formula | C8H11BO4 |
2-Phenyl-3-butyn-2-ol, 98%
CAS: 127-66-2 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.189 MDL Number: MFCD00004454 InChI Key: KSLSOBUAIFEGLT-UHFFFAOYSA-N Synonym: 2-phenyl-3-butyn-2-ol,methylphenylethynylcarbinol,3-hydroxy-3-phenyl-1-butyne,3-butyn-2-ol, 2-phenyl,3-phenyl-butin-1-ol-3,alpha-ethynyl-alpha-methylbenzyl alcohol,alpha-ethynyl-alpha-methylbenzenemethanol,benzenemethanol, .alpha.-ethynyl-.alpha.-methyl,3-phenyl-butin-1-ol-3 german,benzenemethanol, alpha-ethynyl-alpha-methyl PubChem CID: 92098 IUPAC Name: 2-phenylbut-3-yn-2-ol SMILES: CC(C#C)(C1=CC=CC=C1)O
| PubChem CID | 92098 |
|---|---|
| CAS | 127-66-2 |
| Molecular Weight (g/mol) | 146.189 |
| MDL Number | MFCD00004454 |
| SMILES | CC(C#C)(C1=CC=CC=C1)O |
| Synonym | 2-phenyl-3-butyn-2-ol,methylphenylethynylcarbinol,3-hydroxy-3-phenyl-1-butyne,3-butyn-2-ol, 2-phenyl,3-phenyl-butin-1-ol-3,alpha-ethynyl-alpha-methylbenzyl alcohol,alpha-ethynyl-alpha-methylbenzenemethanol,benzenemethanol, .alpha.-ethynyl-.alpha.-methyl,3-phenyl-butin-1-ol-3 german,benzenemethanol, alpha-ethynyl-alpha-methyl |
| IUPAC Name | 2-phenylbut-3-yn-2-ol |
| InChI Key | KSLSOBUAIFEGLT-UHFFFAOYSA-N |
| Molecular Formula | C10H10O |
4-Chloro-3-fluorobenzyl bromide, 97%
CAS: 206362-80-3 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD04115859 InChI Key: CNUYBEIHDWMLSD-UHFFFAOYSA-N Synonym: 4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn PubChem CID: 2783136 IUPAC Name: 4-(bromomethyl)-1-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC(CBr)=C1
| PubChem CID | 2783136 |
|---|---|
| CAS | 206362-80-3 |
| Molecular Weight (g/mol) | 223.47 |
| MDL Number | MFCD04115859 |
| SMILES | FC1=C(Cl)C=CC(CBr)=C1 |
| Synonym | 4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn |
| IUPAC Name | 4-(bromomethyl)-1-chloro-2-fluorobenzene |
| InChI Key | CNUYBEIHDWMLSD-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrClF |
4-Benzyloxy-3-methoxybenzyl alcohol, 98%, Thermo Scientific Chemicals
CAS: 33693-48-0 Molecular Formula: C15H16O3 Molecular Weight (g/mol): 244.29 MDL Number: MFCD00004640 InChI Key: PDBXFVPMVYQICB-UHFFFAOYSA-N Synonym: 4-benzyloxy-3-methoxybenzyl alcohol,4-benzyloxy-3-methoxyphenyl methanol,4-benzyloxy-3-methoxybenzylalcohol,benzenemethanol, 3-methoxy-4-phenylmethoxy,acmc-20amos,o-benzylvanillyl alcohol,4-o-benzyl vanillyl alcohol,vanillyl alcohol benzyl ether PubChem CID: 98832 IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)methanol SMILES: COC1=C(C=CC(=C1)CO)OCC2=CC=CC=C2
| PubChem CID | 98832 |
|---|---|
| CAS | 33693-48-0 |
| Molecular Weight (g/mol) | 244.29 |
| MDL Number | MFCD00004640 |
| SMILES | COC1=C(C=CC(=C1)CO)OCC2=CC=CC=C2 |
| Synonym | 4-benzyloxy-3-methoxybenzyl alcohol,4-benzyloxy-3-methoxyphenyl methanol,4-benzyloxy-3-methoxybenzylalcohol,benzenemethanol, 3-methoxy-4-phenylmethoxy,acmc-20amos,o-benzylvanillyl alcohol,4-o-benzyl vanillyl alcohol,vanillyl alcohol benzyl ether |
| IUPAC Name | (3-methoxy-4-phenylmethoxyphenyl)methanol |
| InChI Key | PDBXFVPMVYQICB-UHFFFAOYSA-N |
| Molecular Formula | C15H16O3 |
3-Chloro-5-fluorophenol, 98%
CAS: 202982-70-5 Molecular Formula: C6H4ClFO Molecular Weight (g/mol): 146.545 MDL Number: MFCD00042212 InChI Key: ZMFBYTAAMHWQHD-UHFFFAOYSA-N Synonym: 3-chloro-5-fluoro-phenol,phenol, 3-chloro-5-fluoro,pubchem2858,acmc-209f8b,3-chloranyl-5-fluoranyl-phenol,phenol, 3-chloro-5-fluoro-9ci PubChem CID: 2773713 IUPAC Name: 3-chloro-5-fluorophenol SMILES: C1=C(C=C(C=C1F)Cl)O
| PubChem CID | 2773713 |
|---|---|
| CAS | 202982-70-5 |
| Molecular Weight (g/mol) | 146.545 |
| MDL Number | MFCD00042212 |
| SMILES | C1=C(C=C(C=C1F)Cl)O |
| Synonym | 3-chloro-5-fluoro-phenol,phenol, 3-chloro-5-fluoro,pubchem2858,acmc-209f8b,3-chloranyl-5-fluoranyl-phenol,phenol, 3-chloro-5-fluoro-9ci |
| IUPAC Name | 3-chloro-5-fluorophenol |
| InChI Key | ZMFBYTAAMHWQHD-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClFO |
4-Aminobenzeneboronic acid hydrochloride, 97%
CAS: 80460-73-7 Molecular Formula: C6H9BClNO2 Molecular Weight (g/mol): 173.403 MDL Number: MFCD03001333 InChI Key: QBYGJJSFMOVYOA-UHFFFAOYSA-N Synonym: 4-aminophenylboronic acid hydrochloride,4-aminophenyl boronic acid hydrochloride,4-aminobenzeneboronic acid hydrochloride,4-aminophenylboronic acid hcl,4-boronoaniline hydrochloride,4-aminophenylboronic acid, hcl,boronic acid, 4-aminophenyl-, hydrochloride,pubchem1747,4-aminophenylboronicacidhydrochloride,ksc494e4p PubChem CID: 2734614 IUPAC Name: (4-aminophenyl)boronic acid;hydrochloride SMILES: B(C1=CC=C(C=C1)N)(O)O.Cl
| PubChem CID | 2734614 |
|---|---|
| CAS | 80460-73-7 |
| Molecular Weight (g/mol) | 173.403 |
| MDL Number | MFCD03001333 |
| SMILES | B(C1=CC=C(C=C1)N)(O)O.Cl |
| Synonym | 4-aminophenylboronic acid hydrochloride,4-aminophenyl boronic acid hydrochloride,4-aminobenzeneboronic acid hydrochloride,4-aminophenylboronic acid hcl,4-boronoaniline hydrochloride,4-aminophenylboronic acid, hcl,boronic acid, 4-aminophenyl-, hydrochloride,pubchem1747,4-aminophenylboronicacidhydrochloride,ksc494e4p |
| IUPAC Name | (4-aminophenyl)boronic acid;hydrochloride |
| InChI Key | QBYGJJSFMOVYOA-UHFFFAOYSA-N |
| Molecular Formula | C6H9BClNO2 |
6-Nitrochromone, 97%
CAS: 51484-05-0 Molecular Formula: C9H5NO4 Molecular Weight (g/mol): 191.142 MDL Number: MFCD02954226 InChI Key: ORWADBVBOPTYQT-UHFFFAOYSA-N Synonym: 6-nitrochromone,6-nitro-4h-chromen-4-one,6-nitrobenzopyran-4-one,acmc-20alxw,6-nitro-4-oxo-4h-1-benzopyran,6-nitro-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,6-nitro PubChem CID: 847716 IUPAC Name: 6-nitrochromen-4-one SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=CO2
| PubChem CID | 847716 |
|---|---|
| CAS | 51484-05-0 |
| Molecular Weight (g/mol) | 191.142 |
| MDL Number | MFCD02954226 |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=CO2 |
| Synonym | 6-nitrochromone,6-nitro-4h-chromen-4-one,6-nitrobenzopyran-4-one,acmc-20alxw,6-nitro-4-oxo-4h-1-benzopyran,6-nitro-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,6-nitro |
| IUPAC Name | 6-nitrochromen-4-one |
| InChI Key | ORWADBVBOPTYQT-UHFFFAOYSA-N |
| Molecular Formula | C9H5NO4 |
2-Chloro-4-fluoro-1-nitrobenzene, 98%
CAS: 2106-50-5 Molecular Formula: C6H3ClFNO2 Molecular Weight (g/mol): 175.543 MDL Number: MFCD03412200 InChI Key: KQOOFMWRLDRDAX-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoronitrobenzene,1-chloro-5-fluoro-2-nitrobenzene,benzene, 2-chloro-4-fluoro-1-nitro,pubchem4342,acmc-209fh8,2-choro-4-fluoronitrobenzene,ksc205m1p,3-chloro-4-nitrofluorobenzene,4-fluoro-2-chloronitrobenzene,2-chloro-4-fluoronitrobenzenen PubChem CID: 75017 IUPAC Name: 2-chloro-4-fluoro-1-nitrobenzene SMILES: C1=CC(=C(C=C1F)Cl)[N+](=O)[O-]
| PubChem CID | 75017 |
|---|---|
| CAS | 2106-50-5 |
| Molecular Weight (g/mol) | 175.543 |
| MDL Number | MFCD03412200 |
| SMILES | C1=CC(=C(C=C1F)Cl)[N+](=O)[O-] |
| Synonym | 2-chloro-4-fluoronitrobenzene,1-chloro-5-fluoro-2-nitrobenzene,benzene, 2-chloro-4-fluoro-1-nitro,pubchem4342,acmc-209fh8,2-choro-4-fluoronitrobenzene,ksc205m1p,3-chloro-4-nitrofluorobenzene,4-fluoro-2-chloronitrobenzene,2-chloro-4-fluoronitrobenzenen |
| IUPAC Name | 2-chloro-4-fluoro-1-nitrobenzene |
| InChI Key | KQOOFMWRLDRDAX-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClFNO2 |
2,6-Difluoro-4-iodophenol, 99%
CAS: 950858-06-7 Molecular Formula: C6H3F2IO Molecular Weight (g/mol): 255.99 MDL Number: MFCD09907951 InChI Key: LHUADYKKTXZZMQ-UHFFFAOYSA-N PubChem CID: 45790937 IUPAC Name: 2,6-difluoro-4-iodophenol SMILES: C1=C(C=C(C(=C1F)O)F)I
| PubChem CID | 45790937 |
|---|---|
| CAS | 950858-06-7 |
| Molecular Weight (g/mol) | 255.99 |
| MDL Number | MFCD09907951 |
| SMILES | C1=C(C=C(C(=C1F)O)F)I |
| IUPAC Name | 2,6-difluoro-4-iodophenol |
| InChI Key | LHUADYKKTXZZMQ-UHFFFAOYSA-N |
| Molecular Formula | C6H3F2IO |
4-Methyl-2-(trifluoromethyl)benzoic acid, 98%
CAS: 120985-64-0 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD01631591 InChI Key: PHJOGJTZXVBKJO-UHFFFAOYSA-N Synonym: 4-methyl-2-trifluoromethyl benzoic acid,2-trifluoromethy-4-methybenzoic acid,2-trifluoromethyl-4-methyl-benzoic acid,4-methyl-2-trifluoromethyl-benzoic acid,2-carboxy-5-methylbenzotrifluoride,2-trifluoromethyl-p-toluic acid,4-carboxy-3-trifluoromethyl toluene,2-trifluoromethyl-4-methyl benzoic acid,4-methyl-2-trifluoromethyl benzoicacid PubChem CID: 2775591 IUPAC Name: 4-methyl-2-(trifluoromethyl)benzoic acid SMILES: CC1=CC(=C(C=C1)C(O)=O)C(F)(F)F
| PubChem CID | 2775591 |
|---|---|
| CAS | 120985-64-0 |
| Molecular Weight (g/mol) | 204.15 |
| MDL Number | MFCD01631591 |
| SMILES | CC1=CC(=C(C=C1)C(O)=O)C(F)(F)F |
| Synonym | 4-methyl-2-trifluoromethyl benzoic acid,2-trifluoromethy-4-methybenzoic acid,2-trifluoromethyl-4-methyl-benzoic acid,4-methyl-2-trifluoromethyl-benzoic acid,2-carboxy-5-methylbenzotrifluoride,2-trifluoromethyl-p-toluic acid,4-carboxy-3-trifluoromethyl toluene,2-trifluoromethyl-4-methyl benzoic acid,4-methyl-2-trifluoromethyl benzoicacid |
| IUPAC Name | 4-methyl-2-(trifluoromethyl)benzoic acid |
| InChI Key | PHJOGJTZXVBKJO-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
Tetrahydro-4H-pyran-4-one, 98%
CAS: 29943-42-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.117 MDL Number: MFCD00006581 InChI Key: JMJRYTGVHCAYCT-UHFFFAOYSA-N Synonym: tetrahydro-4h-pyran-4-one,4-oxotetrahydropyran,tetrahydropyran-4-one,dihydro-2h-pyran-4 3h-one,4h-pyran-4-one, tetrahydro,4-thp,tetrahydro-2h-pyran-4-one,tetrahydro-pyran-4-one,4-oxotetrahydopyran,tetrahydro-.gamma.-pyrone PubChem CID: 121599 IUPAC Name: oxan-4-one SMILES: C1COCCC1=O
| PubChem CID | 121599 |
|---|---|
| CAS | 29943-42-8 |
| Molecular Weight (g/mol) | 100.117 |
| MDL Number | MFCD00006581 |
| SMILES | C1COCCC1=O |
| Synonym | tetrahydro-4h-pyran-4-one,4-oxotetrahydropyran,tetrahydropyran-4-one,dihydro-2h-pyran-4 3h-one,4h-pyran-4-one, tetrahydro,4-thp,tetrahydro-2h-pyran-4-one,tetrahydro-pyran-4-one,4-oxotetrahydopyran,tetrahydro-.gamma.-pyrone |
| IUPAC Name | oxan-4-one |
| InChI Key | JMJRYTGVHCAYCT-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
3,4,5-Trihydroxybenzaldehyde hydrate, 97%
CAS: 13677-79-7 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00003371 InChI Key: RGZHEOWNTDJLAQ-UHFFFAOYSA-N Synonym: gallaldehyde,benzaldehyde, 3,4,5-trihydroxy,pyrogallol-5-carboxaldehyde,3,4,5-trihydroxy benzaldehyde,pubchem21300,3,4,5-trihydroxybenz,acmc-209c9s,3,4,5-trihydroxybenzaldhyde,3,4,5-trihydroxy-benzaldehyde,3,4,5-tris oxidanyl benzaldehyde PubChem CID: 83651 IUPAC Name: 3,4,5-trihydroxybenzaldehyde SMILES: OC1=CC(C=O)=CC(O)=C1O
| PubChem CID | 83651 |
|---|---|
| CAS | 13677-79-7 |
| Molecular Weight (g/mol) | 154.12 |
| MDL Number | MFCD00003371 |
| SMILES | OC1=CC(C=O)=CC(O)=C1O |
| Synonym | gallaldehyde,benzaldehyde, 3,4,5-trihydroxy,pyrogallol-5-carboxaldehyde,3,4,5-trihydroxy benzaldehyde,pubchem21300,3,4,5-trihydroxybenz,acmc-209c9s,3,4,5-trihydroxybenzaldhyde,3,4,5-trihydroxy-benzaldehyde,3,4,5-tris oxidanyl benzaldehyde |
| IUPAC Name | 3,4,5-trihydroxybenzaldehyde |
| InChI Key | RGZHEOWNTDJLAQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
1H,1H,2H,2H-Perfluoro-1-iodooctane, 97%, stab. with copper
CAS: 2043-57-4 Molecular Formula: C8H4F13I Molecular Weight (g/mol): 474.004 MDL Number: MFCD00039410 InChI Key: NVVZEKTVIXIUKW-UHFFFAOYSA-N Synonym: 1h,1h,2h,2h-perfluorooctyl iodide,octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo,1-iodo-1h,1h,2h,2h-perfluorooctane,1,1,2,2-tetrahydroperfluorooctyliodide,1,1,2,2-tetrahydroperfluorooctyl iodide,2-perfluorohexyl ethyl iodide,3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctane,1h,1h,2h,2h-tridecafluoro-n-octyl iodide,3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl iodide,acmc-1ccsn PubChem CID: 74888 IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane SMILES: C(CI)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
| PubChem CID | 74888 |
|---|---|
| CAS | 2043-57-4 |
| Molecular Weight (g/mol) | 474.004 |
| MDL Number | MFCD00039410 |
| SMILES | C(CI)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| Synonym | 1h,1h,2h,2h-perfluorooctyl iodide,octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo,1-iodo-1h,1h,2h,2h-perfluorooctane,1,1,2,2-tetrahydroperfluorooctyliodide,1,1,2,2-tetrahydroperfluorooctyl iodide,2-perfluorohexyl ethyl iodide,3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctane,1h,1h,2h,2h-tridecafluoro-n-octyl iodide,3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl iodide,acmc-1ccsn |
| IUPAC Name | 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane |
| InChI Key | NVVZEKTVIXIUKW-UHFFFAOYSA-N |
| Molecular Formula | C8H4F13I |
2-Thioxanthine, 98+%
CAS: 2487-40-3 Molecular Formula: C5H4N4OS Molecular Weight (g/mol): 168.174 MDL Number: MFCD00031505 InChI Key: XNHFAGRBSMMFKL-UHFFFAOYSA-N Synonym: 2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo PubChem CID: 1268185 IUPAC Name: 2-sulfanylidene-3,7-dihydropurin-6-one SMILES: C1=NC2=C(N1)C(=O)NC(=S)N2
| PubChem CID | 1268185 |
|---|---|
| CAS | 2487-40-3 |
| Molecular Weight (g/mol) | 168.174 |
| MDL Number | MFCD00031505 |
| SMILES | C1=NC2=C(N1)C(=O)NC(=S)N2 |
| Synonym | 2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo |
| IUPAC Name | 2-sulfanylidene-3,7-dihydropurin-6-one |
| InChI Key | XNHFAGRBSMMFKL-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4OS |