6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile
6-phenyl-2-prop-2-ynylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile|BAS 01127293|ETHYL 2-METHYLCYCLOPROP-2-ENE-1-CARBOXYLATE|6-phenyl-2-prop-2-ynylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile|SR-01000426816-1|6-phenyl-2-prop-2-ynylthio-4-(trifluoromethyl)pyridine-3-carbonitrile|6-Phenyl-2-[(prop-2-yn-1-yl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CAS: 5809-04-1
| Molecular Formula | C16H9F3N2S |
|---|---|
| Molecular Weight | 318.04385 g/mol |
| LogP | 4.36438 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.04385 |
| Monoisotopic Mass | 318.04385 |
| Heavy Atoms | 22 |
| Complexity | 755.9311 |
Chemical Identifiers
| CAS Number | 5809-04-1 |
|---|---|
| SMILES | C#CCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N |
Product Overview
6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile (CAS 5809-04-1), with molecular formula C16H9F3N2S and molecular weight 318.04385 g/mol. IUPAC: 6-phenyl-2-prop-2-ynylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
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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