(2-CHLORO-5-TRIFLUOROMETHYL)PHENYLTHIOUREA

The Thiourea,N-[2-chloro-5-(trifluoromethyl)phenyl]-, with the CAS registry number of 21714-35-2, is also known as N-[2-Chloro-5-(trifluoromethyl)phenyl]thiourea. Its molecular formula is C₈H₆ClF₃N₂S and molecular weight is 254.66. What's more, its systematic name is 1-[2-Chloro-5-(trifluoromethyl)phenyl]thiourea. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Thiourea,N-[2-chloro-5-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 62.13; (6)ACD/BCF (pH 7.4): 62.12; (7)ACD/KOC (pH 5.5): 668.75; (8)ACD/KOC (pH 7.4): 668.62; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 56.56 cm³; (15)Molar Volume: 163 cm³; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.562 g/cm³; (18)Flash Point: 128 °C; (19)Enthalpy of Vaporization: 52.73 kJ/mol; (20)Boiling Point: 288.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00239 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1NC(=S)N)C(F)(F)F
(2) InChI: InChI=1/C8H6ClF3N2S/c9-5-2-1-4(8(10,11)12)3-6(5)14-7(13)15/h1-3H,(H3,13,14,15)
(3) InChIKey: GCEQZLQDKSFFEF-UHFFFAOYAL