Theophylline, 8-(sec-butylthio)-6-thio-
8-butan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Also Known As: Theophylline, 8-(sec-butylthio)-6-thio-|Uric acid,3-dimethyl-6-thio-|Theophylline,8-allylthio-6-thio|6-Thio-8-(1'-methylpropyl)thiotheophylline|Uric acid, 8-(sec-butylthio)-1,3-dimethyl-6-thio-|8-(SEC-BUTYLTHIO)-6-THIOTHEOPHYLLINE|8-butan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one|2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(1-methylpropyl)thio]-6-thioxo-|8-(butan-2-ylsulfanyl)-1,3-dimethyl-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one|8-[(sec-Butyl)thio]-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one
| Molecular Formula | C11H16N4OS2 |
|---|---|
| Molecular Weight | 284.07657 g/mol |
| LogP | 2.22019 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.07657 |
| Monoisotopic Mass | 284.07657 |
| Heavy Atoms | 18 |
| Complexity | 697.35675 |
Chemical Identifiers
| CAS Number | 6493-40-9 |
|---|---|
| SMILES | CCC(C)SC1=NC2=C(N1)C(=S)N(C(=O)N2C)C |
Product Overview
Theophylline, 8-(sec-butylthio)-6-thio- (CAS 6493-40-9), with molecular formula C11H16N4OS2 and molecular weight 284.07657 g/mol. IUPAC: 8-butan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one.