The 2-Chloro-4-methyl-1,3-thiazole, with the CAS registry number 26847-01-8 and EINECS registry number 248-046-2, is also called 2-Chloro-4-methylthiazole. It is a kind of organics, and should be stored in the dry and cool enviroment. And the molecular formula of the chemical is C4H4ClNS.
The characteristics of 2-Chloro-4-methyl-1,3-thiazole are as followings: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.44; (6)ACD/BCF (pH 7.4): 7.44; (7)ACD/KOC (pH 5.5): 146.37; (8)ACD/KOC (pH 7.4): 146.4; (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: 1.559; (14)Molar Refractivity: 32.44 cm3; (15)Molar Volume: 100.3 cm3; (16)Polarizability: 12.86×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 76.4 °C; (20)Enthalpy of Vaporization: 42.1 kJ/mol; (21)Boiling Point: 202.7 °C at 760 mmHg; (22)Vapour Pressure: 0.411 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nc(cs1)C
(2)InChI: InChI=1/C4H4ClNS/c1-3-2-7-4(5)6-3/h2H,1H3
(3)InChIKey: SYDUUJIIXIOTQT-UHFFFAOYAI
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