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CAS No.: | 4146-24-1 |
---|---|
Name: | 6-Chloro-2-methyl-benzothiazole |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H6ClNS |
Molecular Weight: | 183.661 |
Synonyms: | 2-Methyl-6-chlorobenzothiazole;6-Chloro-2-methylbenzothiazole; |
Density: | 1.365 g/cm3 |
Boiling Point: | 276.8 °C at 760mmHg |
Flash Point: | 121.2 °C |
PSA: | 41.13000 |
LogP: | 3.25810 |
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The Benzothiazole,6-chloro-2-methyl- is an organic compound with the molecular formula C8H6ClNS. Its CAS registry number is 4146-24-1. The IUPAC name of this chemical is called 6-Chloro-2-methyl-1,3-benzothiazole. It belongs to the product categories of Benzothiazole. What's more, the molecular weight of this chemical is 183.65794.
Physical properties about Benzothiazole,6-chloro-2-methyl- are: (1)ACD/LogP: 3.00; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 41.13 Å2; (7)Index of Refraction: 1.67; (8)Molar Refractivity: 50.29 cm3; (9)Molar Volume: 134.4 cm3; (10)Polarizability: 19.93×10-24 cm3; (11)Surface Tension: 52.4 dyne/cm; (12)Density: 1.365 g/cm3; (13)Flash Point: 121.2 °C; (14)Enthalpy of Vaporization: 49.46 kJ/mol; (15)Boiling Point: 276.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0079 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc2nc(sc2c1)C
(2) InChI: InChI=1/C8H6ClNS/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3
(3) InChIKey: DGMXMWBHUAEUQK-UHFFFAOYAR