6-(2,2,2-trifluoroethylsulfanyl)-7H-purine
6-(2,2,2-trifluoroethylsulfanyl)-7H-purine
Also Known As: 6-(2,2,2-trifluoroethylsulfanyl)-7H-purine|Purine, 6-(2,2,2-trifluoroethylthio)-|6-[(2,2,2-Trifluoroethyl)sulfanyl]-7H-purine
CAS: 654-18-2
| Molecular Formula | C7H5F3N4S |
|---|---|
| Molecular Weight | 234.0187 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.0187 |
| Monoisotopic Mass | 234.0187 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 654-18-2 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=NC=N2)SCC(F)(F)F |
| InChIKey | KFNWKYCGNGQQEN-UHFFFAOYSA-N |
Product Overview
6-(2,2,2-trifluoroethylsulfanyl)-7H-purine (CAS 654-18-2), with molecular formula C7H5F3N4S and molecular weight 234.0187 g/mol. IUPAC: 6-(2,2,2-trifluoroethylsulfanyl)-7H-purine.
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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