AC1O57WX
3-sulfanylidene-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one
Also Known As: 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)-|3-sulfanylidene-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one|3-Sulfanylidene-2-[3-(trifluoromethyl)phenyl]hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-1-one
CAS: 58744-75-5
| Molecular Formula | C13H12F3N3OS |
|---|---|
| Molecular Weight | 315.0653 g/mol |
| LogP | 2.98259 |
| Topological Polar Surface Area | 31.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.0653 |
| Monoisotopic Mass | 315.0653 |
| Heavy Atoms | 21 |
| Complexity | 762.71356 |
Chemical Identifiers
| CAS Number | 58744-75-5 |
|---|---|
| SMILES | C1CCN2C(=S)N(C(=O)N2C1)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
AC1O57WX (CAS 58744-75-5), with molecular formula C13H12F3N3OS and molecular weight 315.0653 g/mol. IUPAC: 3-sulfanylidene-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one.
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.
View MSDS →
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