1,3-Dimethyl-8-(nonylsulfanyl)-2-sulfanylidene-1,2,3,9-tetrahydro-6H-purin-6-one
1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one
Also Known As: 2-Thio-8-(N-nonylthio)theophylline|2-Thio-8-n-nonylthiotheophylline|Theophylline, (8-nonylthio)-2-thio-|Theophylline, 8-nonylthio-2-thio-|8-(Nonylthio)-2-thiotheophylline|KST-1A9367|8-NONYLTHIO-2-THIOTHEOPHYLLINE|Uric acid, 1,3-dimethyl-8-nonylthio-2-thio-|Uric acid,3-dimethyl-(8-nonylthio)-2-thio-|1,3-dimethyl-8-(nonylsulfanyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one|1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one|6H-Purin-6-one, 1,2,3,7-tetrahydro-1,3-dimethyl-8-(nonylthio)-2-thioxo-|1,3-Dimethyl-8-(nonylsulfanyl)-2-sulfanylidene-1,2,3,9-tetrahydro-6H-purin-6-one|1,2,3,7-Tetrahydro-1,3-dimethyl-8-(nonylthio)-2-thioxo-6H-purin-6-one|3,7-Dihydro-1,3-dimethyl-8-(nonylthio)-2-thioxo-1H-purin-6(2H)-one|6H-Purin-6-one,2,3,7-tetrahydro-1,3-dimethyl-8-(nonylthio)-2-thioxo-|1,3-dimethyl-8-(nonylsulfanyl)-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one
| Molecular Formula | C16H26N4OS2 |
|---|---|
| Molecular Weight | 354.15482 g/mol |
| LogP | 4.17 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 354.15482 |
| Heavy Atoms | 23 |
| Complexity | 759.8 |
Chemical Identifiers
| CAS Number | 4776-11-8 |
|---|---|
| SMILES | CCCCCCCCCSC1=NC2=C(N1)C(=O)N(C(=S)N2C)C |
Product Overview
1,3-Dimethyl-8-(nonylsulfanyl)-2-sulfanylidene-1,2,3,9-tetrahydro-6H-purin-6-one (CAS 4776-11-8), with molecular formula C16H26N4OS2 and molecular weight 354.15482 g/mol. IUPAC: 1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one.
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