3-CHLORO-4-FLUOROTHIOBENZAMIDE

The Benzenecarbothioamide,3-chloro-4-fluoro-, with CAS registry number 130560-97-3, belongs to the following product category: Thioamide. It has the systematic name of 3-chloro-4-fluorobenzenecarbothioamide. And the chemical formula of  this chemical is C₇H₅ClFNS.

Physical properties of Benzenecarbothioamide,3-chloro-4-fluoro-: (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): 57.31; (6)ACD/BCF (pH 7.4): 57.31; (7)ACD/KOC (pH 5.5): 631.18; (8)ACD/KOC (pH 7.4): 631.17; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.33 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 47.33 cm³; (15)Molar Volume: 132.1 cm³; (16)Polarizability: 18.76×10^-24cm³; (17)Surface Tension: 58.9 dyne/cm; (18)Density: 1.434 g/cm³; (19)Flash Point: 126.5 °C; (20)Enthalpy of Vaporization: 52.46 kJ/mol; (21)Boiling Point: 285.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00279 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenecarbothioamide,3-chloro-4-fluoro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(C(=S)N)cc1Cl
(2)InChI: InChI=1/C7H5ClFNS/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
(3)InChIKey: RSGPCKCTKDCMRR-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H5ClFNS/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
(5)Std. InChIKey: RSGPCKCTKDCMRR-UHFFFAOYSA-N