3,4-DICHLORO-THIOBENZAMIDE

The CAS register number of Benzenecarbothioamide,3,4-dichloro- is 22179-73-3. It also can be called as 3,4-Dichlorothiobenzamide and the IUPAC name about this chemical is 3,4-dichlorobenzenecarbothioamide. The molecular formula about this chemical is C₇H₅Cl₂NS and the molecular weight is 206.09.

Physical properties about Benzenecarbothioamide,3,4-dichloro- are: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 3.07; (3)ACD/LogD (pH 7.4): 3.07; (4)ACD/BCF (pH 5.5): 125.93; (5)ACD/BCF (pH 7.4): 125.93; (6)ACD/KOC (pH 5.5): 1108.86; (7)ACD/KOC (pH 7.4): 1108.86; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.33 Å²; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 52.23 cm³; (14)Molar Volume: 139.9 cm³; (15)Polarizability: 20.7x10^-24cm³; (16)Surface Tension: 63.4 dyne/cm; (17)Density: 1.473 g/cm³; (18)Flash Point: 146.4 °C; (19)Enthalpy of Vaporization: 55.99 kJ/mol; (20)Boiling Point: 318.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000361 mmHg at 25 °C.

Uses of Benzenecarbothioamide,3,4-dichloro-: it can be used to produce 2-[(3,4-dichlorophenyl)thiazol-4-yl]acetate with 4-chloro-3-oxo-butyric acid ethyl ester. This reaction will need solvent of ethanol. This reaction needs heating and the reaction time is 4 hours. The yield is about 72%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(C(=S)N)cc1Cl
(2)InChI: InChI=1/C7H5Cl2NS/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
(3)InChIKey: FLRBZGVTWSWQNV-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H5Cl2NS/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
(5)Std. InChIKey: FLRBZGVTWSWQNV-UHFFFAOYSA-N