CAS No.80689-35-6,Benzothiazole, 2-chloro-4,6-dimethyl- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80689-35-6
Name:	Benzothiazole, 2-chloro-4,6-dimethyl- (9CI)

Formula:	C₉H₈ClNS
Molecular Weight:	197.688
Synonyms:	2-Chloro-4,6-dimethylbenzothiazole;
Density:	1.311 g/cm³
Boiling Point:	287 °C at 760 mmHg
Flash Point:	127.4 °C
PSA:	41.13000
LogP:	3.56650

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Specification

The CAS registry number of Benzothiazole,2-chloro-4,6-dimethyl- is 80689-35-6. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C₉H₈ClNS and molecular weight is 197.68452. What's more, its systematic name which is called 2-Chloro-4,6-dimethyl-1,3-benzothiazole.

Physical properties about Benzothiazole,2-chloro-4,6-dimethyl- are: (1)ACD/LogP: 4.33; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.33; (4)ACD/LogD (pH 7.4): 4.33; (5)ACD/BCF (pH 5.5): 1158.32; (6)ACD/BCF (pH 7.4): 1158.36; (7)ACD/KOC (pH 5.5): 5428.52; (8)ACD/KOC (pH 7.4): 5428.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 55.11 cm³; (15)Molar Volume: 150.7 cm³; (16)Polarizability: 21.84×10^-24 cm³; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.311 g/cm³; (19)Flash Point: 127.4 °C; (20)Enthalpy of Vaporization: 50.51 kJ/mol; (21)Boiling Point: 287 °C at 760 mmHg; (22)Vapour Pressure: 0.0044 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc2c(cc(cc2s1)C)C
(2) InChI: InChI=1/C9H8ClNS/c1-5-3-6(2)8-7(4-5)12-9(10)11-8/h3-4H,1-2H3
(3) InChIKey: DGUINEVXAOBICO-UHFFFAOYAI