AC1N7D87
2-(trifluoromethyl)-3,7-dihydropurine-6-thione
Also Known As: 2-(trifluoromethyl)-9~{H}-purine-6-thiol|2-(trifluoromethyl)-3,7-dihydropurine-6-thione|2-(Trifluoromethyl)-1H-purine-6(9H)-thione|2-(Trifluoromethyl)-3,7-dihydro-6H-purine-6-thione|6H-Purine-6-thione, 1,9-dihydro-2-(trifluoromethyl)-|KBN
CAS: 1996-33-4
| Molecular Formula | C6H3F3N4S |
|---|---|
| Molecular Weight | 220.00305 g/mol |
| LogP | 2.03429 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.00305 |
| Monoisotopic Mass | 220.00305 |
| Heavy Atoms | 14 |
| Complexity | 525.5915 |
Chemical Identifiers
| CAS Number | 1996-33-4 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=S)N=C(N2)C(F)(F)F |
Product Overview
AC1N7D87 (CAS 1996-33-4), with molecular formula C6H3F3N4S and molecular weight 220.00305 g/mol. IUPAC: 2-(trifluoromethyl)-3,7-dihydropurine-6-thione.
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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