Ethanethioamide,2-[4-(trifluoromethyl)phenoxy]- (19432-91-8)

The 2-[4-(Trifluoromethyl)phenoxy]ethanethioamide, with the CAS registry number 19432-91-8, is also known as Ethanethioamide, 2-[4-(trifluoromethyl)phenoxy]-. This chemical's molecular formula is C₉H₈F₃NOS and molecular weight is 235.23. Its systematic name is called 2-[4-(trifluoromethyl)phenoxy]thioacetamide.

Physical properties about this chemical are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 57.76; (6)ACD/BCF (pH 7.4): 57.76; (7)ACD/KOC (pH 5.5): 634.73; (8)ACD/KOC (pH 7.4): 634.76; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 53.36 cm³; (14)Molar Volume: 172.1 cm³; (15)Surface Tension: 41.3 dyne/cm; (16)Density: 1.366 g/cm³; (17)Flash Point: 144 °C; (18)Enthalpy of Vaporization: 55.57 kJ/mol; (19)Boiling Point: 314.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000463 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C(F)(F)F)OCC(=S)N
(2)InChI: InChI=1/C9H8F3NOS/c10-9(11,12)6-1-3-7(4-2-6)14-5-8(13)15/h1-4H,5H2,(H2,13,15)
(3)InChIKey: PGHISAZTENDHEY-UHFFFAOYAE