1,3,6,9-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one
1,3-dimethyl-8-methylsulfanyl-6-sulfanylidene-7H-purin-2-one
Also Known As: Theophylline, 8-methylthio-6-thio-|6-Thio-8-methylthiotheophylline|NCIOpen2_006136|Theophylline, (8-methylthio)-6-thio-|6-Thio-(8-methylthio)theophylline|Theophylline, 8-(methylthio)-6-thio-|8-(Methylthio)-6-thiotheophylline|8-METHYLTHIO-6-THIOTHEOPHYLLINE|Uric acid, 1,3-dimethyl-8-methylthio-6-thio-|Uric acid,3-dimethyl-(8-methylthio)-6-thio-|1,3-dimethyl-8-methylsulfanyl-6-sulfanylidene-7H-purin-2-one|1,3,6,9-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one|1,3,6,7-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one|1,3-Dimethyl-8-(methylsulfanyl)-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one|1,3-dimethyl-8-(methylsulfanyl)-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one|2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-(METHYLTHIO)-6-THIOXO-
| Molecular Formula | C8H10N4OS2 |
|---|---|
| Molecular Weight | 242.0296 g/mol |
| LogP | 1.05149 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.0296 |
| Monoisotopic Mass | 242.0296 |
| Heavy Atoms | 15 |
| Complexity | 636.3547 |
Chemical Identifiers
| CAS Number | 4791-34-8 |
|---|---|
| SMILES | CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SC |
Product Overview
1,3,6,9-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one (CAS 4791-34-8), with molecular formula C8H10N4OS2 and molecular weight 242.0296 g/mol. IUPAC: 1,3-dimethyl-8-methylsulfanyl-6-sulfanylidene-7H-purin-2-one.
1,3,6,9-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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