2-[3-(Trifluoromethyl)phenoxy]ethanethioamide (20293-32-7)

The 2-[3-(Trifluoromethyl)phenoxy]ethanethioamide, with CAS registry number 20293-32-7, has the systematic name of 2-[3-(trifluoromethyl)phenoxy]ethanethioamide. Besides this, it is also called ethanethioamide, 2-[3-(trifluoromethyl)phenoxy]-. And the chemical formula of this chemical is C₉H₈F₃NOS.

Physical properties of 2-[3-(Trifluoromethyl)phenoxy]ethanethioamide: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.53; (6)ACD/BCF (pH 7.4): 40.54; (7)ACD/KOC (pH 5.5): 492.59; (8)ACD/KOC (pH 7.4): 492.61; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.56 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 53.36 cm³; (15)Molar Volume: 172.1 cm³; (16)Polarizability: 21.15×10^-24cm³; (17)Surface Tension: 41.3 dyne/cm; (18)Enthalpy of Vaporization: 54.94 kJ/mol; (19)Vapour Pressure: 0.000669 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(OCC(=S)N)ccc1
(2)InChI: InChI=1/C9H8F3NOS/c10-9(11,12)6-2-1-3-7(4-6)14-5-8(13)15/h1-4H,5H2,(H2,13,15)
(3)InChIKey: OXPKSHGBXIELIA-UHFFFAOYAJ