5-(Bromomethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole

The Thiazole,5-(bromomethyl)-2-methyl-4-(trifluoromethyl)-, with the CAS registry number 1000339-73-0, is also known as 5-(Bromomethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole. It belongs to the product categories of Thiazole series; Methyl Halides; Thiazoles, Isothiazoles & Benzothiazoles; Methyl Halides; Thiazoles, Isothiazoles & Benzothiazoles. This chemical's molecular formula is C₆H₅BrF₃NS and molecular weight is 260.0748096. What's more, its IUPAC name is 5-(Bromomethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole. And the chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Thiazole,5-(bromomethyl)-2-methyl-4-(trifluoromethyl)- are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.511; (4)ACD/LogD (pH 7.4): 1.511; (5)ACD/BCF (pH 5.5): 8.286; (6)ACD/BCF (pH 7.4): 8.286; (7)ACD/KOC (pH 5.5): 158.12; (8)ACD/KOC (pH 7.4): 158.12; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 45.182 cm³; (15)Molar Volume: 151.414 cm³; (16)Polarizability: 17.911×10^-24 cm³; (17)Surface Tension: 35.037 dyne/cm; (18)Density: 1.718 g/cm³; (19)Flash Point: 90.401 °C; (20)Enthalpy of Vaporization: 44.36 kJ/mol; (21)Boiling Point: 225.867 °C at 760 mmHg; (22)Vapour Pressure: 0.126 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1nc(c(s1)CBr)C(F)(F)F
(2) InChI: InChI=1/C6H5BrF3NS/c1-3-11-5(6(8,9)10)4(2-7)12-3/h2H2,1H3
(3) InChIKey: OYDQGPCAYKWSAU-UHFFFAOYAB