CAS No.5262-63-5,Benzothiazole, 2,4-dimethyl- (6CI,7CI,8CI,9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5262-63-5
Name:	Benzothiazole, 2,4-dimethyl- (6CI,7CI,8CI,9CI)
Article Data:	8

Formula:	C₉H₉NS
Molecular Weight:	163.243
Synonyms:	2,4-Dimethylbenzothiazole;
Density:	1.176 g/cm³
Boiling Point:	259.4 °C at 760 mmHg
Flash Point:	112.7 °C
PSA:	41.13000
LogP:	2.91310

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Specification

The Benzothiazole,2,4-dimethyl-, with the CAS registry number 5262-63-5, is also known as 2,4-Dimethylbenzothiazole. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C₉H₉NS and molecular weight is 163.2395. What's more, its systematic name is called 2,4-Dimethyl-1,3-benzothiazole.

Physical properties about Benzothiazole,2,4-dimethyl- are: (1)ACD/LogP: 2.87; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 87.97; (6)ACD/BCF (pH 7.4): 88.76; (7)ACD/KOC (pH 5.5): 855.53; (8)ACD/KOC (pH 7.4): 863.21; (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: 1.643; (14)Molar Refractivity: 50.22 cm³; (15)Molar Volume: 138.8 cm³; (16)Surface Tension: 47.1 dyne/cm; (17)Density: 1.176 g/cm³; (18)Flash Point: 112.7 °C; (19)Enthalpy of Vaporization: 47.7 kJ/mol; (20)Boiling Point: 259.4 °C at 760 mmHg; (21)Vapour Pressure: 0.021 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cccc2sc(C)nc12
(2) InChI: InChI=1/C9H9NS/c1-6-4-3-5-8-9(6)10-7(2)11-8/h3-5H,1-2H3
(3) InChIKey: JKUXVIGPUOXPMM-UHFFFAOYAP