8-Hexylthio-6-thiotheophylline
8-hexylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Also Known As: Theophylline, 8-hexylthio-6-thio-|6-Thio-8-n-hexylthiotheophylline|6-Thio-8-(N-hexylthio)theophylline|Theophylline, (8-hexylthio)-6-thio-|Theophylline, 8-(hexylthio)-6-thio-|8-HEXYLTHIO-6-THIOTHEOPHYLLINE|8-n-Hexylthio-6-thiotheophyllin|8-(Hexylthio)-6-thiotheophylline|Uric acid, 1,3-dimethyl-8-hexylthio-6-thio-|Uric acid,3-dimethyl-(8-hexylthio)-6-thio-|8-hexylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one|8-(Hexylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one|6,7-Dihydro-1,3-dimethyl-8- -6-thioxo-1H-purin-2 -one|6,7-Dihydro-1,3-dimethyl-8-(hexylthio)-6-thioxo-1H-purin-2(3H)-one|2H-PURIN-2-ONE, 8-(HEXYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-|8-(Hexylsulfanyl)-1,3-dimethyl-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one|8-(hexylsulfanyl)-1,3-dimethyl-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one
| Molecular Formula | C13H20N4OS2 |
|---|---|
| Molecular Weight | 312.10785 g/mol |
| LogP | 3.00199 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.10785 |
| Monoisotopic Mass | 312.10785 |
| Heavy Atoms | 20 |
| Complexity | 713.4551 |
Chemical Identifiers
| CAS Number | 4791-38-2 |
|---|---|
| SMILES | CCCCCCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C |
Product Overview
8-Hexylthio-6-thiotheophylline (CAS 4791-38-2), with molecular formula C13H20N4OS2 and molecular weight 312.10785 g/mol. IUPAC: 8-hexylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one.