4-(3-CHLOROPHENYL)-3-THIOSEMICARBAZIDE

The Hydrazinecarbothioamide, N-(3-chlorophenyl)-, with the CAS registry number of 42135-76-2, is also known as N-(3-Chlorophenyl)hydrazinecarbothioamide. This chemical's molecular formula C₇H₈ClN₃S is and molecular weight is 201.68. What's more, its IUPAC name is 1-Amino-3-(3-chlorophenyl)thiourea. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Hydrazinecarbothioamide, N-(3-chlorophenyl)- are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.26; (6)ACD/BCF (pH 7.4): 18.16; (7)ACD/KOC (pH 5.5): 278.32; (8)ACD/KOC (pH 7.4): 276.86; (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: 1.729; (14)Molar Refractivity: 55.17 cm³; (15)Molar Volume: 138.3 cm³; (16)Surface Tension: 73.9 dyne/cm; (17)Density: 1.458 g/cm³; (18)Flash Point: 145.1 °C; (19)Enthalpy of Vaporization: 55.76 kJ/mol; (20)Boiling Point: 316.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000414 mmHg at 25 °C.

Uses of Hydrazinecarbothioamide, N-(3-chlorophenyl)-: it is used to produce other chemicals. For example, it is used to produce 5-(3-Chloro-phenylamino)-[1,3,4]thiadiazole-2-thiol by heating. The reaction needs reagent KOH and solvent Ethanol. The yield is about 80 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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: Clc1cc(NC(=S)NN)ccc1
(2) InChI: InChI=1/C7H8ClN3S/c8-5-2-1-3-6(4-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
(3) InChIKey: YUSLJYYTYKWSHL-UHFFFAOYAS