N-[3,5-Bis(Trifluoromethyl)Phenyl]-2-(Isobutylsulfanyl)Isonicotinamide
[CAS# 339181-24-7]

Identification

• Name: N-[3,5-Bis(Trifluoromethyl)Phenyl]-2-(Isobutylsulfanyl)Isonicotinamide
• Synonyms: N-[3,5-Bis(trifluoromethyl)phenyl]-2-[(2-methylpropyl)thio]-4-pyridinecarboxamide
• Molecular Formula: C₁₈H₁₆F₆N₂OS
• Molecular Weight: 422.39
• CAS Registry Number: 339181-24-7
• SMILES: CC(C)CSc1cc(ccn1)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F
• InChI: 1S/C18H16F6N2OS/c1-10(2)9-28-15-5-11(3-4-25-15)16(27)26-14-7-12(17(19,20)21)6-13(8-14)18(22,23)24/h3-8,10H,9H2,1-2H3,(H,26,27)
• InChIKey: VJJMUYPIUPWGNJ-UHFFFAOYSA-N

Properties

• Density: 1.38g/cm³ (Cal.)
• Boiling point: 372.62°C at 760 mmHg (Cal.)
• Flash point: 179.155°C (Cal.)
• Refractive index: 1.527 (Cal.)