6-Thio-8-(undecylthio)-theophylline
1,3-dimethyl-6-sulfanylidene-8-undecylsulfanyl-7H-purin-2-one
Also Known As: 6-Thio-8-undecylthiotheophylline|Theophylline, 6-thio-8-undecylthio-|Theophylline, 6-thio-(8-undecylthio)-|6-Thio-8-(undecylthio)theophylline|6-Thio-8-(undecylthio)-theophylline|6-Thio-(8-undecylthio)theophylline|Theophylline, 6-thio-8-(undecylthio)-|Uric acid, 1,3-dimethyl-6-thio-8-undecylthio-|Uric acid,3-dimethyl-6-thio-(8-undecylthio)-|1,3-dimethyl-6-sulfanylidene-8-undecylsulfanyl-7H-purin-2-on|1,3-dimethyl-6-sulfanylidene-8-undecylsulfanyl-7H-purin-2-one|2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-8-(UNDECYLTHIO)-|1,3,6,7-Tetrahydro-1,3-dimethyl-6-thioxo-8-(undecylthio)-2H-purin-2-one|1,3-Dimethyl-6-sulfanylidene-8-(undecylsulfanyl)-1,3,6,7-tetrahydro-2H-purin-2-one|1,3-dimethyl-6-sulfanylidene-8-(undecylsulfanyl)-2,3,6,7-tetrahydro-1H-purin-2-one
| Molecular Formula | C18H30N4OS2 |
|---|---|
| Molecular Weight | 382.1861 g/mol |
| LogP | 4.95249 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 382.1861 |
| Monoisotopic Mass | 382.1861 |
| Heavy Atoms | 25 |
| Complexity | 790.69556 |
Chemical Identifiers
| CAS Number | 6493-36-3 |
|---|---|
| SMILES | CCCCCCCCCCCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C |
Product Overview
6-Thio-8-(undecylthio)-theophylline (CAS 6493-36-3), with molecular formula C18H30N4OS2 and molecular weight 382.1861 g/mol. IUPAC: 1,3-dimethyl-6-sulfanylidene-8-undecylsulfanyl-7H-purin-2-one.
6-Thio-8-(undecylthio)-theophylline is a custom synthesis product. We offer services from milligram to kilogram scale.
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