1-(2,3-DICHLOROPHENYL)-2-THIOUREA

The Thiourea,N-(2,3-dichlorophenyl)-, with the CAS registry number of 41542-06-7, is also known as 1-(2,3-Dichlorophenyl)thiourea. Its molecular formula is C₇H₆Cl₂N₂S and molecular weight is 221.11. What's more, its IUPAC name is (2,3-Dichlorophenyl)thiourea.

Physical properties about the Thiourea,N-(2,3-dichlorophenyl)- are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 25.04; (6)ACD/BCF (pH 7.4): 25.04; (7)ACD/KOC (pH 5.5): 348.96; (8)ACD/KOC (pH 7.4): 348.88; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 56.47 cm³; (15)Molar Volume: 141.4 cm³; (16)Surface Tension: 73 dyne/cm; (17)Density: 1.563 g/cm³; (18)Flash Point: 148.7 °C; (19)Enthalpy of Vaporization: 56.42 kJ/mol; (20)Boiling Point: 322.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000281 mmHg at 25 °C.

Preparation: this chemical can be obtained by 1-Benzoyl-3-(2,3-dichloro-phenyl)-thiourea. The reaction needs reagent NaOH. The reaction time is 9 min with reaction temperature of 85 °C. The yield is about 96 %.

Uses: it is used to produce other chemicals. For example, it is used to produce C₈H₈Cl₂N₂S*HI. This reaction needs solvent Methanol. The reaction time is 2 h. The yield is about 85 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(NC(=S)N)cccc1Cl
(2) InChI: InChI=1/C7H6Cl2N2S/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,(H3,10,11,12)
(3) InChIKey: AHQMVDBEJWQFIR-UHFFFAOYAA