4-(2,6-DICHLOROPHENYL)-3-THIOSEMICARBAZIDE

The Hydrazinecarbothioamide,2-(2,6-dichlorophenyl)-, with the CAS registry number 13207-55-1, is also known as N-(2,6-Dichlorophenyl)carbamohydrazonothioic acid. This chemical's molecular formula is C₇H₇Cl₂N₃S and molecular weight is 236.12. What's more, its IUPAC name is 1-Amino-3-(2,6-dichlorophenyl)thiourea. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Hydrazinecarbothioamide,2-(2,6-dichlorophenyl)- 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): 18.21; (6)ACD/BCF (pH 7.4): 18.14; (7)ACD/KOC (pH 5.5): 277.84; (8)ACD/KOC (pH 7.4): 276.77; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.Molar Refractivity: 60.07 cm³; (13)Molar Volume: 150.2 cm³; (14)Polarizability: 23.81×10^-24 cm³; (15)Surface Tension: 74.4 dyne/cm; (16)Density: 1.571 g/cm³; (17)Flash Point: 156.6 °C; (18)Enthalpy of Vaporization: 57.84 kJ/mol; (19)Boiling Point: 335.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00012 mmHg at 25 °C.

Preparation of Hydrazinecarbothioamide,2-(2,6-dichlorophenyl)-: this chemical can be prepared by 1,3-Dichloro-2-isothiocyanato-benzene. This reaction needs reagent NH₂NH₂. The yield is 95 %.

Use of Hydrazinecarbothioamide,2-(2,6-dichlorophenyl)-: it is used to produce other chemicals. For example, it is used to produce C₁₃H₁₀Cl₂N₄S. The reaction occurs with reagent Ethanol and reaction time is 2 hours. The yield is 92 %.

When you are dealing with this chemical, you should be very careful. This chemical is harmful if swallowed. 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: Clc1cccc(Cl)c1NC(=S)NN
(2)InChI: InChI=1/C7H7Cl2N3S/c8-4-2-1-3-5(9)6(4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
(3)InChIKey: MTLDTBBIPXCMJY-UHFFFAOYAY