2-Amino-5-trifluoromethylbenzothiazole (60388-38-7)

The 2-Amino-5-trifluoromethylbenzothiazole with the cas number 60388-38-7 is also called 2-Benzothiazolamine,5-(trifluoromethyl)-(9CI). The systematic name is 5-(trifluoromethyl)-1,3-benzothiazol-2-amine . Its molecular formula is C₈H₅F₃N₂S. The product category of this chemica is BENZOTHIAZOLE.

The properties of the chemical are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.74; (6)ACD/BCF (pH 7.4): 43.88; (7)ACD/KOC (pH 5.5): 519.73; (8)ACD/KOC (pH 7.4): 521.4; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.37 ?2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 49.78 cm3; (15)Molar Volume: 142 cm3; (16)Polarizability: 19.73 10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Enthalpy of Vaporization: 54.72 kJ/mol; (19)Vapour Pressure: 0.00076 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc2nc(sc2cc1)N
(2)InChI: InChI=1/C8H5F3N2S/c9-8(10,11)4-1-2-6-5(3-4)13-7(12)14-6/h1-3H,(H2,12,13)
(3)InChIKey: ARKYDZKUBJMEDX-UHFFFAOYAQ