6-(Heptylthio)-1H-purine
6-heptylsulfanyl-7H-purine
Also Known As: 6-n-Heptylmercaptopurine|Cetylamine|6-(Heptylthio)-1H-purine|6-heptylsulfanyl-7H-purine|Purine, 6-(heptylthio)-|6-Heptylmercaptopurine|6-(heptylthio)-9H-purine|6-(Heptylthio)-7H-purine|EINECS 280-364-7|6-(heptylsulfanyl)-1H-purine|6-(heptylsulfanyl)-7H-purine|6-(heptylsulfanyl)-9H-purine|1H-Purine, 6-(heptylthio)-|6-n-Heptylmercaptopurine, crystalline
| Molecular Formula | C12H18N4S |
|---|---|
| Molecular Weight | 250.12521 g/mol |
| LogP | 3.42 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.12521 |
| Heavy Atoms | 17 |
| Complexity | 454.5 |
Chemical Identifiers
| CAS Number | 83277-80-9 |
|---|---|
| SMILES | CCCCCCCSC1=NC=NC2=C1NC=N2 |
Product Overview
6-(Heptylthio)-1H-purine (CAS 83277-80-9), with molecular formula C12H18N4S and molecular weight 250.12521 g/mol. IUPAC: 6-heptylsulfanyl-7H-purine.
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