8-Butylthio-6-thiotheophylline
8-butylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Also Known As: Theophylline, 8-butylthio-6-thio-|6-Thio-8-N-butylthiotheophylline|NCIOpen2_006221|Uric acid,3-dimethyl-6-thio-|Theophylline, 8-(butylthio)-6-thio-|8-BUTYLTHIO-6-THIOTHEOPHYLLINE|8-(Butylthio)-6-thiotheophylline|Uric acid, 8-butylthio-1,3-dimethyl-6-thio-|Uric acid,8-butylthio-1,3-dimethyl-6-thio|8-butylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one|8-(Butylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one|8-Butylthio-1,3-dimethyl-6-thioxo-1,6-dihydro-7H-purin-2 -one|8-(Butylthio)-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one|8-Butylthio-1,3-dimethyl-6-thioxo-1,6-dihydro-7H-purin-2(3H)-one|2H-PURIN-2-ONE, 8-(BUTYLTHIO)-1,3,6,7-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-|2H-PURIN-2-ONE, 8-(BUTYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-|8-(Butylsulfanyl)-1,3-dimethyl-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one|8-(butylsulfanyl)-1,3-dimethyl-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one
| Molecular Formula | C11H16N4OS2 |
|---|---|
| Molecular Weight | 284.07657 g/mol |
| LogP | 2.22179 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.07657 |
| Monoisotopic Mass | 284.07657 |
| Heavy Atoms | 18 |
| Complexity | 682.63367 |
Chemical Identifiers
| CAS Number | 6493-29-4 |
|---|---|
| SMILES | CCCCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C |
Product Overview
8-Butylthio-6-thiotheophylline (CAS 6493-29-4), with molecular formula C11H16N4OS2 and molecular weight 284.07657 g/mol. IUPAC: 8-butylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one.
8-Butylthio-6-thiotheophylline is a custom synthesis product. We offer services from milligram to kilogram scale.
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