5,7-Bis(trifluoromethyl)quinoline-4-thiol

• Catalog: OFC1065076041
• CAS: 1065076-04-1
• Category: Fluorinated Quinolines
• Synonyms: 5,7-Bis(trifluoromethyl)-4-mercaptoquinoline
• MDL Number: MFCD11101419

• IUPAC Name: 5,7-bis(trifluoromethyl)-1H-quinoline-4-thione
• InChI: InChI=1S/C11H5F6NS/c12-10(13,14)5-3-6(11(15,16)17)9-7(4-5)18-2-1-8(9)19/h1-4H,(H,18,19)
• InChI Key: JUZFQQKELJLGFV-UHFFFAOYSA-N
• Isomeric SMILES: C1=CNC2=CC(=CC(=C2C1=S)C(F)(F)F)C(F)(F)F

• Molecular Formula: C11H5F6NS
• Molecular Weight: 297.22

• XLogP3-AA: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 297.00468931 g/mol
• Monoisotopic Mass: 297.00468931 g/mol
• Topological Polar Surface Area: 44.1Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 399