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856171-16-9

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Basic Information
CAS No.: 856171-16-9
Name: 2-Chloro-6-(1-methylethyl)benzothiazole
Article Data: 2
Molecular Structure:
Molecular Structure of 856171-16-9 (2-Chloro-6-(1-methylethyl)benzothiazole)
Formula: C10H10ClNS
Molecular Weight: 211.715
Synonyms: 2-Chloro-6-(1-methylethyl)benzothiazole;6-Isopropyl-2-chlorobenzothiazole;
Density: 1.258 g/cm3
Boiling Point: 284.3 °C at 760 mmHg
Flash Point: 125.7 °C
PSA: 41.13000
LogP: 4.07310
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Specification

The cas register number of 2-Chloro-6-(1-methylethyl)benzothiazole is 856171-16-9. It also can be called as Benzothiazole,2-chloro-6-(1-methylethyl)- and the Systematic name about this chemical is 2-chloro-6-(propan-2-yl)-1,3-benzothiazole.

Physical properties about 2-Chloro-6-(1-methylethyl)benzothiazole are: (1)ACD/LogP: 4.75; (2)ACD/LogD (pH 5.5): 4.75; (3)ACD/LogD (pH 7.4): 4.75; (4)ACD/BCF (pH 5.5): 2410.04; (5)ACD/BCF (pH 7.4): 2410.08; (6)ACD/KOC (pH 5.5): 9171.65; (7)ACD/KOC (pH 7.4): 9171.79; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.13Å2; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 59.65 cm3; (13)Molar Volume: 168.2 cm3; (14)Polarizability: 23.64x10-24cm3; (15)Surface Tension: 46.4 dyne/cm; (16)Enthalpy of Vaporization: 50.23 kJ/mol; (17)Boiling Point: 284.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00515 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc2ccc(cc2s1)C(C)C
(2)InChI: InChI=1/C10H10ClNS/c1-6(2)7-3-4-8-9(5-7)13-10(11)12-8/h3-6H,1-2H3
(3)InChIKey: PKSULTRTWYRDMU-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H10ClNS/c1-6(2)7-3-4-8-9(5-7)13-10(11)12-8/h3-6H,1-2H3
(5)Std. InChIKey: PKSULTRTWYRDMU-UHFFFAOYSA-N