Name: 2-Chloro-4-methyl-5-thiazolecarboxylic acid
SKU: 40003-48-3

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Basic Information

Molecular Structure:
CAS No.:	40003-48-3
Name:	2-Chloro-4-methyl-5-thiazolecarboxylic acid

Formula:	C₅H₄ClNO₂S
Molecular Weight:	177.61
Synonyms:	5-thiazolecarboxylic acid, 2-chloro-4-methyl-;
Density:	1.573 g/cm³
Boiling Point:	364.409 °C at 760 mmHg
Flash Point:	174.188 °C
PSA:	78.43000
LogP:	1.80310

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Specification

The 2-Chloro-4-methyl-5-thiazolecarboxylic acid with the CAS number 40003-48-3 is also called 5-thiazolecarboxylic acid, 2-chloro-4-methyl-. Both the systematic name and IUPAC name are 2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid. Its molecular formula is C₅H₄ClNO₂S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 2-Chloro-4-methyl-5-thiazolecarboxylic acid are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 78.43 Å²; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 39.378 cm³; (13)Molar Volume: 112.892 cm³; (14)Polarizability: 15.611×10^-24cm³; (15)Surface Tension: 64.737 dyne/cm; (16)Enthalpy of Vaporization: 64.422 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(sc(n1)Cl)C(=O)O
(2)InChI: InChI=1/C5H4ClNO2S/c1-2-3(4(8)9)10-5(6)7-2/h1H3,(H,8,9)
(3)InChIKey: LDUFDQVROYUUBS-UHFFFAOYAG