1,3,6,9-Tetrahydro-1,3-dimethyl-8-((2-oxopropyl)thio)-6-thioxo-2H-purin-2-one
1,3-dimethyl-8-(2-oxopropylsulfanyl)-6-sulfanylidene-7H-purin-2-one
Also Known As: Theophylline, 8-(acetonylthio)-6-thio-|8-(Acetonylthio)-6-thiotheophylline|1,3,6,9-Tetrahydro-1,3-dimethyl-8-((2-oxopropyl)thio)-6-thioxo-2H-purin-2-one|1,3-dimethyl-8-(2-oxopropylsulfanyl)-6-sulfanylidene-7H-purin-2-one|1,3-Dimethyl-8-[(2-oxopropyl)sulfanyl]-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one|1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one|2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-OXOPROPYL)THIO)-6-THIOXO-|6,7-Dihydro-1,3-dimethyl-8-[(2-oxopropyl)thio]-6-thioxo-1H-purin-2(3H)-one|8-(Acetonylthio)-1,3-dimethyl-6-thioxo-1,3,6,7-tetrahydro-2H-purin-2-one
| Molecular Formula | C10H12N4O2S2 |
|---|---|
| Molecular Weight | 284.04016 g/mol |
| LogP | 1.01069 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.04016 |
| Monoisotopic Mass | 284.04016 |
| Heavy Atoms | 18 |
| Complexity | 740.64124 |
Chemical Identifiers
| CAS Number | 6466-01-9 |
|---|---|
| SMILES | CC(=O)CSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C |
Product Overview
1,3,6,9-Tetrahydro-1,3-dimethyl-8-((2-oxopropyl)thio)-6-thioxo-2H-purin-2-one (CAS 6466-01-9), with molecular formula C10H12N4O2S2 and molecular weight 284.04016 g/mol. IUPAC: 1,3-dimethyl-8-(2-oxopropylsulfanyl)-6-sulfanylidene-7H-purin-2-one.