1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-(dimethylamino)cyclohexyl]thiourea
[CAS# 620960-26-1]

Identification

• Name: 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-(dimethylamino)cyclohexyl]thiourea
• Synonyms: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(+)-2-(dimethylamino) cyclohexyl]thiourea; 1-{3,5-Bis(trifluoromethyl)phenyl}-3-{(1R,2R)-2-(dimethylamino)cyclohexyl}thiourea; Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(dimethylamino)cyclohe xyl]-
• Molecular Formula: C₁₇H₂₁F₆N₃S
• Molecular Weight: 413.42
• CAS Registry Number: 620960-26-1
• SMILES: CN(C)[C@@H]1CCCC[C@H]1NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
• InChI: 1S/C17H21F6N3S/c1-26(2)14-6-4-3-5-13(14)25-15(27)24-12-8-10(16(18,19)20)7-11(9-12)17(21,22)23/h7-9,13-14H,3-6H2,1-2H3,(H2,24,25,27)/t13-,14-/m1/s1
• InChIKey: NQRCAVZHOLYEBJ-ZIAGYGMSSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 380.8±52.0°C at 760 mmHg (Cal.)
• Flash point: 184.1±30.7°C (Cal.)
• Refractive index: 1.523 (Cal.)