4-[(2-Aminoethyl)thio]-2-(trifluoromethyl)quinoline

• Catalog: OFC175203506
• CAS: 175203-50-6
• Category: Fluorinated Quinolines
• Synonyms: 2-{[2-(Trifluoromethyl)quinolin-4-yl]thio}ethylamine
• Purity: 97%
• MDL Number: MFCD00174223

• IUPAC Name: 2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethanamine
• InChI: InChI=1S/C12H11F3N2S/c13-12(14,15)11-7-10(18-6-5-16)8-3-1-2-4-9(8)17-11/h1-4,7H,5-6,16H2
• InChI Key: SIVFTOISFTWFPU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)SCCN
• EC Number: 672-948-9

• Molecular Formula: C12H11F3N2S
• Molecular Weight: 272.29
• Melting Point: 97-99 °C

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 272.05950402 g/mol
• Monoisotopic Mass: 272.05950402 g/mol
• Topological Polar Surface Area: 64.2Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 273