1,2,3,9-Tetrahydro-1,3-dimethyl-8-(propylthio)-2-thioxo-6H-purin-6-one
1,3-dimethyl-8-propylsulfanyl-2-sulfanylidene-7H-purin-6-one
Also Known As: Theophylline, 8-propylthio-2-thio-|2-Thio-8-propylthiotheophylline|NCIOpen2_006218|Theophylline, (8-propylthio)-2-thio-|2-Thio-(8-propylthio)theophylline|Theophylline, 8-(propylthio)-2-thio-|KST-1B4590|8-(Propylthio)-2-thiotheophylline|8-PROPYLTHIO-2-THIOTHEOPHYLLINE|Uric acid, 1,3-dimethyl-8-propylthio-2-thio-|Uric acid,1,3-dimethyl-8-propylthio-2-thio|Uric acid,3-dimethyl-(8-propylthio)-2-thio-|1,3-dimethyl-8-propylsulfanyl-2-sulfanylidene-7H-purin-6-one|1,2,3,9-Tetrahydro-1,3-dimethyl-8-(propylthio)-2-thioxo-6H-purin-6-one|1,3-dimethyl-8-(propylsulfanyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one|3,7-Dihydro-1,3-dimethyl-8-(propylthio)-2-thioxo-1H-purin-6-one|3,7-Dihydro-1,3-dimethyl-8-(propylthio)-2-thioxo-1H-purin-6(2H)-one|1,3-Dimethyl-8-(propylsulfanyl)-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one|1,3-dimethyl-8-(propylsulfanyl)-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one|6H-PURIN-6-ONE, 1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-8-(PROPYLTHIO)-2-THIOXO-
| Molecular Formula | C10H14N4OS2 |
|---|---|
| Molecular Weight | 270.0609 g/mol |
| LogP | 1.83 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0609 |
| Heavy Atoms | 17 |
| Complexity | 667.2 |
Chemical Identifiers
| CAS Number | 4791-36-0 |
|---|---|
| SMILES | CCCSC1=NC2=C(N1)C(=O)N(C(=S)N2C)C |
Product Overview
1,2,3,9-Tetrahydro-1,3-dimethyl-8-(propylthio)-2-thioxo-6H-purin-6-one (CAS 4791-36-0), with molecular formula C10H14N4OS2 and molecular weight 270.0609 g/mol. IUPAC: 1,3-dimethyl-8-propylsulfanyl-2-sulfanylidene-7H-purin-6-one.
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