4-(3-CHLORO-4-METHYLPHENYL)-3-THIOSEMICARBAZIDE

The Hydrazinecarbothioamide, N-(3-chloro-4-methylphenyl)-, with the CAS registry number 78862-75-6, is also known as N-(3-Chloro-4-methylphenyl)hydrazinecarbothioamide. This chemical's molecular formula is C₈H₁₀ClN₃S and molecular weight is 215.7. What's more, its IUPAC name is called 1-Amino-3-(3-chloro-4-methylphenyl)thiourea.

Physical properties about Hydrazinecarbothioamide, N-(3-chloro-4-methylphenyl)- are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.86; (6)ACD/BCF (pH 7.4): 40.56; (7)ACD/KOC (pH 5.5): 495.38; (8)ACD/KOC (pH 7.4): 491.76; (9)#H bond acceptors: 3 ; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.81 Å²; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 60 cm³; (15)Molar Volume: 154.5 cm³; (16)Surface Tension: 67.5 dyne/cm; (17)Density: 1.395 g/cm³; (18)Flash Point: 153.1 °C; (19)Enthalpy of Vaporization: 57.21 kJ/mol; (20)Boiling Point: 329.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000176 mmHg at 25 °C.

Preparation of Hydrazinecarbothioamide, N-(3-chloro-4-methylphenyl)-: this chemical can be prepared by 3-Chloro-4-methyl-phenyl isothiocyanate. This reaction needs reagent N₂H₄·H₂O and solvent Ethanol. The yield is 90 %.

Uses of Hydrazinecarbothioamide, N-(3-chloro-4-methylphenyl)-: it is used to produce other chemicals. For example, it is used to produce C₁₄H₁₄ClN₅O₃S. The reaction occurs with reagent HCl, solvent Ethanol and other condition of heating for 90 min. The yield is 65 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(NC(=S)NN)ccc1C
(2) InChI: InChI=1/C8H10ClN3S/c1-5-2-3-6(4-7(5)9)11-8(13)12-10/h2-4H,10H2,1H3,(H2,11,12,13)
(3) InChIKey: AXMJKVNNZKVUKY-UHFFFAOYAQ