2-(Trifluoromethyl)quinoline-4-thiol

• Catalog: OFC874772142
• CAS: 874772-14-2
• Category: Fluorinated Quinolines
• Synonyms: 4-Mercapto-2-(trifluoromethyl)quinoline
• MDL Number: MFCD00209252

• IUPAC Name: 2-(trifluoromethyl)-1H-quinoline-4-thione
• InChI: InChI=1S/C10H6F3NS/c11-10(12,13)9-5-8(15)6-3-1-2-4-7(6)14-9/h1-5H,(H,14,15)
• InChI Key: OANLPKWPLHCORW-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C(=S)C=C(N2)C(F)(F)F

• Molecular Formula: C10H6F3NS
• Molecular Weight: 229.22

• XLogP3-AA: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 229.01730486 g/mol
• Monoisotopic Mass: 229.01730486 g/mol
• Topological Polar Surface Area: 44.1Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 308