8-Heptylthio-6-thiotheophylline
8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Also Known As: 8-Heptylthio-6-thiotheophylline|Theophylline, 8-heptylthio-6-thio-|6-Thio-8-(N-heptylthio)theophylline|6-Thio-8-n-heptylthiotheophylline|Theophylline, (8-heptylthio)-6-thio-|Theophylline, 8-(heptylthio)-6-thio-|8-(Heptylthio)-6-thiotheophylline|Uric acid, 1,3-dimethyl-8-heptylthio-6-thio-|Uric acid,3-dimethyl-(8-heptylthio)-6-thio-|8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one|6,7-Dihydro-1,3-dimethyl-8-(heptylthio)-6-thioxo-1H-purin-2(3H)-one|8-heptylsulfanyl-1,3-dimethyl-6-thioxo-1,3,6,7(9)-tetrahydro-purin-2-one|2H-PURIN-2-ONE, 8-(HEPTYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-|8-(Heptylsulfanyl)-1,3-dimethyl-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one|8-(heptylsulfanyl)-1,3-dimethyl-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one|8-(HEPTYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-2H-PURIN-2-ONE
| Molecular Formula | C14H22N4OS2 |
|---|---|
| Molecular Weight | 326.1235 g/mol |
| LogP | 3.39209 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.1235 |
| Monoisotopic Mass | 326.1235 |
| Heavy Atoms | 21 |
| Complexity | 728.8748 |
Chemical Identifiers
| CAS Number | 4791-39-3 |
|---|---|
| SMILES | CCCCCCCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C |
Product Overview
8-Heptylthio-6-thiotheophylline (CAS 4791-39-3), with molecular formula C14H22N4OS2 and molecular weight 326.1235 g/mol. IUPAC: 8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one.
8-Heptylthio-6-thiotheophylline is a custom synthesis product. We offer services from milligram to kilogram scale.
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