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2-Benzothiazolamine,5-chloro-4-methyl- (65373-18-4)

Identification
Name:2-Benzothiazolamine,5-chloro-4-methyl-
Synonyms:2-Amino-5-chloro-4-methylbenzothiazole;5-Chloro-4-methyl-benzothiazol-2-ylamine;
CAS:65373-18-4
Molecular Formula: C8H7ClN2S
Molecular Weight: 0
InChI: InChI=1/C8H7ClN2S/c1-4-5(9)2-3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11)
Molecular Structure: (C8H7ClN2S) 2-Amino-5-chloro-4-methylbenzothiazole;5-Chloro-4-methyl-benzothiazol-2-ylamine;
Properties
Density:1.452 g/cm3
Refractive index:1.728
Specification:

The 2-Amino-5-chloro-4-methylbenzothiazole with the cas number 65373-18-4 is also called 2-Benzothiazolamine,5-chloro-4-methyl-. The systematic name is 5-chloro-4-methyl-1,3-benzothiazol-2-amine. Its molecular formula is C8H7ClN2S. The product's category is benzothiazole.

The properties of the chemical are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.95; (5)ACD/BCF (pH 5.5): 99.46; (6)ACD/BCF (pH 7.4): 102.23; (7)ACD/KOC (pH 5.5): 929.21; (8)ACD/KOC (pH 7.4): 955.04; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 54.52 cm3; (15)Molar Volume: 136.7 cm3; (16)Polarizability: 21.61×10-24cm3; (17)Surface Tension: 64.6 dyne/cm; (18)Enthalpy of Vaporization: 60.15 kJ/mol ; (19)Vapour Pressure: 2.96×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c2nc(sc2cc1)N)C
(2)InChI: InChI=1/C8H7ClN2S/c1-4-5(9)2-3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11)
(3)InChIKey: ORCGZHQFPODCCH-UHFFFAOYAY

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