8-Heptylthiotheophylline
8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-(N-Heptylthio)theophylline|Theophylline, (8-heptylthio)-|8-n-Heptylthiotheophylline|8-Heptylthiotheophyline|Theophylline, 8-heptylthio-|8-HEPTYLTHIOTHEOPHYLLINE|8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione|1H-Purine-2,6-dione, 8-(heptylthio)-3,7-dihydro-1,3-dimethyl-|8-(heptylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione|1H-Purine-2, 8-(heptylthio)-3,7-dihydro-1,3-dimethyl-|8-(Heptylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione|1H-PURINE-2,6-DIONE, 8-(HEPTYLTHIO)-3,9-DIHYDRO-1,3-DIMETHYL-|8-(heptylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C14H22N4O2S |
|---|---|
| Molecular Weight | 310.14636 g/mol |
| LogP | 2.02 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.14636 |
| Heavy Atoms | 21 |
| Complexity | 728.9 |
Chemical Identifiers
| CAS Number | 73908-75-5 |
|---|---|
| SMILES | CCCCCCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
Product Overview
8-Heptylthiotheophylline (CAS 73908-75-5), with molecular formula C14H22N4O2S and molecular weight 310.14636 g/mol. IUPAC: 8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione.
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