8-(Cyclohexylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one
8-cyclohexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Also Known As: Theophylline, 8-cyclohexylthio-2-thio-|2-Thio-8-cyclohexylthiotheophylline|Uric acid,3-dimethyl-2-thio-|Theophylline, 8-(cyclohexylthio)-2-thio-|8-(Cyclohexylthio)-2-thiotheophylline|8-CYCLOHEXYLTHIO-2-THIOTHEOPHYLLINE|Uric acid, 8-cyclohexylthio-1,3-dimethyl-2-thio-|8-(Cyclohexylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one|8-cyclohexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one|8- -1,3-dimethyl-2-thioxo-2,3-dihydro-7H-purin-6 -one|8-(Cyclohexylthio)-1,3-dimethyl-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one|8-cyclohexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6|8-(Cyclohexylthio)-1,3-dimethyl-2-thioxo-2,3-dihydro-7H-purin-6(1H)-one|8-(Cyclohexylthio)-3,7-dihydro-1,3-dimethyl-2-thioxo-1H-purin-6(2H)-one|6H-PURIN-6-ONE, 8-(CYCLOHEXYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-|8-(Cyclohexylsulfanyl)-1,3-dimethyl-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one|8-(cyclohexylsulfanyl)-1,3-dimethyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one
| Molecular Formula | C13H18N4OS2 |
|---|---|
| Molecular Weight | 310.0922 g/mol |
| LogP | 2.75 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.0922 |
| Heavy Atoms | 20 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 6466-13-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SC3CCCCC3 |
Product Overview
8-(Cyclohexylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one (CAS 6466-13-3), with molecular formula C13H18N4OS2 and molecular weight 310.0922 g/mol. IUPAC: 8-cyclohexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one.
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