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34551-19-4

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Basic Information
CAS No.: 34551-19-4
Name: (6-CHLORO-BENZOTHIAZOL-2-YL)-METHYL-AMINE
Article Data: 10
Molecular Structure:
Molecular Structure of 34551-19-4 ((6-CHLORO-BENZOTHIAZOL-2-YL)-METHYL-AMINE)
Formula: C8H7ClN2S
Molecular Weight: 198.67
Synonyms: Benzothiazole,6-chloro-2-methylamino- (6CI);6-Chloro-2-(methylamino)benzothiazole;6-Chloro-N-methyl-1,3-benzothiazol-2-amine;
Density: 1.443 g/cm3
Boiling Point: 307.096 °C at 760 mmHg
Flash Point: 139.527 °C
PSA: 53.16000
LogP: 3.06440
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Specification

The 2-Benzothiazolamine,6-chloro-N-methyl-, with the CAS registry number 34551-19-4, is also known as 6-Chloro-2-(methylamino)benzothiazole. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C8H7ClN2S and molecular weight is 198.67. What's more, its systematic name is 6-chloro-N-methyl-1,3-benzothiazol-2-amine. 

Physical properties of 2-Benzothiazolamine,6-chloro-N,N-dimethyl- are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 80; (6)ACD/BCF (pH 7.4): 82; (7)ACD/KOC (pH 5.5): 799; (8)ACD/KOC (pH 7.4): 817; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 53.16 Å2; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 55.075 cm3; (15)Molar Volume: 137.659 cm3; (16)Polarizability: 21.834×10-24cm3; (17)Surface Tension: 60.028 dyne/cm; (18)Density: 1.443 g/cm3; (19)Flash Point: 139.527 °C; (20)Enthalpy of Vaporization: 54.767 kJ/mol; (21)Boiling Point: 307.096 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC1=NC2=C(S1)C=C(C=C2)Cl
(2)InChI: InChI=1S/C8H7ClN2S/c1-10-8-11-6-3-2-5(9)4-7(6)12-8/h2-4H,1H3,(H,10,11)
(3)InChIKey: LZCBQCKLQRWOJK-UHFFFAOYSA-N