Theophylline, 8-ethylthio-6-thio-
8-ethylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Also Known As: Theophylline, 8-ethylthio-6-thio-|6-Thio-8-ethylthiotheophylline|Theophylline, (8-ethylthio)-6-thio-|8-ETHYLTHIO-6-THIOTHEOPHYLLINE|6-Thio-(8-ethylthio)theophylline|Uric acid, 1,3-dimethyl-8-ethylthio-6-thio-|Uric acid,1,3-dimethyl-8-ethylthio-6-thio|Uric acid,3-dimethyl-(8-ethylthio)-6-thio-|8-ethylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one|2H-Purin-2-one, 8-(ethylthio)-1,3,6,7-tetrahydro-3,7-dimethyl-6-thioxo-|2H-Purin-2-one,3,6,7-tetrahydro-3,7-dimethyl-6-thioxo-|8- -3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2 -one|8-(ETHYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-2H-PURIN-2-ONE|8-(Ethylthio)-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(6H)-one|8-(Ethylthio)-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one|8-(Ethylsulfanyl)-1,3-dimethyl-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one|8-(ethylsulfanyl)-1,3-dimethyl-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one
| Molecular Formula | C9H12N4OS2 |
|---|---|
| Molecular Weight | 256.04526 g/mol |
| LogP | 1.44159 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.04526 |
| Monoisotopic Mass | 256.04526 |
| Heavy Atoms | 16 |
| Complexity | 651.79834 |
Chemical Identifiers
| CAS Number | 4791-35-9 |
|---|---|
| SMILES | CCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C |
Product Overview
Theophylline, 8-ethylthio-6-thio- (CAS 4791-35-9), with molecular formula C9H12N4OS2 and molecular weight 256.04526 g/mol. IUPAC: 8-ethylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one.