1,3,6,9-Tetrahydro-1,3-dimethyl-8-(nonylthio)-6-thioxo-2H-purin-2-one
1,3-dimethyl-8-nonylsulfanyl-6-sulfanylidene-7H-purin-2-one
Also Known As: Theophylline, 8-nonylthio-6-thio-|6-Thio-8-n-nonylthiotheophylline|6-Thio-8-(N-nonylthio)theophylline|Theophylline, (8-nonylthio)-6-thio-|Theophylline, 8-(nonylthio)-6-thio-|8-(Nonylthio)-6-thiotheophylline|Uric acid, 1,3-dimethyl-8-nonylthio-6-thio-|Uric acid,1,3-dimethyl-8-nonylthio-6-thio|Uric acid,3-dimethyl-(8-nonylthio)-6-thio-|1,3-dimethyl-8-nonylsulfanyl-6-sulfanylidene-7H-purin-2-one|1,3,6,9-Tetrahydro-1,3-dimethyl-8-(nonylthio)-6-thioxo-2H-purin-2-one|1,3,6,7-Tetrahydro-1,3-dimethyl-8-(nonylthio)-6-thioxo-2H-purin-2-one|1,3-Dimethyl-8-(nonylsulfanyl)-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one|1,3-dimethyl-8-(nonylsulfanyl)-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one|2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-(NONYLTHIO)-6-THIOXO-
| Molecular Formula | C16H26N4OS2 |
|---|---|
| Molecular Weight | 354.15482 g/mol |
| LogP | 4.17229 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 354.15482 |
| Monoisotopic Mass | 354.15482 |
| Heavy Atoms | 23 |
| Complexity | 759.7516 |
Chemical Identifiers
| CAS Number | 4791-41-7 |
|---|---|
| SMILES | CCCCCCCCCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C |
Product Overview
1,3,6,9-Tetrahydro-1,3-dimethyl-8-(nonylthio)-6-thioxo-2H-purin-2-one (CAS 4791-41-7), with molecular formula C16H26N4OS2 and molecular weight 354.15482 g/mol. IUPAC: 1,3-dimethyl-8-nonylsulfanyl-6-sulfanylidene-7H-purin-2-one.