8-(Hexylthio)-2-thio-theophylline
8-hexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Also Known As: Theophylline, 8-hexylthio-2-thio-|2-Thio-8-n-hexylthiotheophylline|2-Thio-8-(N-hexylthio)theophylline|8-(Hexylthio)-2-thio-theophylline|Theophylline, (8-hexylthio)-2-thio-|8-Hexylthio-2-thiotheophylline|8-(Hexylthio)-2-thiotheophylline|Theophylline, 8-(hexylthio)-2-thio-|Uric acid, 1,3-dimethyl-8-hexylthio-2-thio-|Uric acid,1,3-dimethyl-8-hexylthio-2-thio|Uric acid,3-dimethyl-(8-hexylthio)-2-thio-|8-hexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one|8-(hexylsulfanyl)-1,3-dimethyl-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one|1,3-Dimethyl-2,7-dihydro-8-(hexylthio)-2-thioxo-1H-purin-6(3H)-one|3,7-Dihydro-1,3-dimethyl-8-(hexylthio)-2-thioxo 1H-purin-6(2H)-one|6H-PURIN-6-ONE, 8-(HEXYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-|8-(Hexylsulfanyl)-1,3-dimethyl-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one|8-(hexylsulfanyl)-1,3-dimethyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one|8-(HEXYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-6H-PURIN-6-ONE
| Molecular Formula | C13H20N4OS2 |
|---|---|
| Molecular Weight | 312.10785 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.10785 |
| Heavy Atoms | 20 |
| Complexity | 713.5 |
Chemical Identifiers
| CAS Number | 4869-71-0 |
|---|---|
| SMILES | CCCCCCSC1=NC2=C(N1)C(=O)N(C(=S)N2C)C |
Product Overview
8-(Hexylthio)-2-thio-theophylline (CAS 4869-71-0), with molecular formula C13H20N4OS2 and molecular weight 312.10785 g/mol. IUPAC: 8-hexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one.
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