8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione
8-cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione
Also Known As: J3.245.107A|8-cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione|1,3,9-Trimethyl-8-(cyclohexylthio)-1H-purine-2,6(3H,9H)-dione|8-(Cyclohexylsulfanyl)-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione|8-(cyclohexylsulfanyl)-1,3,9-trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
CAS: 7465-37-4
| Molecular Formula | C14H20N4O2S |
|---|---|
| Molecular Weight | 308.1307 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.1307 |
| Monoisotopic Mass | 308.1307 |
| Heavy Atoms | 21 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 7465-37-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SC3CCCCC3 |
| InChIKey | QOJPGFMTJRZALP-UHFFFAOYSA-N |
Product Overview
8-Cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione (CAS 7465-37-4), with molecular formula C14H20N4O2S and molecular weight 308.1307 g/mol. IUPAC: 8-cyclohexylsulfanyl-1,3,9-trimethylpurine-2,6-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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