Basic information
- Name:
2-Thiazolecarboxylicacid, 5-methyl-
- Superlist Name:
- 5-Methylthiazole-2-carboxylic acid
- CAS No.:
61291-21-2
- Molecular Structure:
- Formula:
- C5H5NO2S
- Molecular Weight:
- 143.1637
- Synonyms:
- 5-Methylthiazole-2-carboxylicacid;5-methyl-1,3-thiazole-2-carboxylic acid;2-thiazolecarboxylic acid, 5-methyl-;5-Methyl-1,3-thiazole-2-carboxylic acid;
- Density:
- 1.418 g/cm3
- Boiling Point:
- 317.135 °C at 760 mmHg
- Flash Point:
- 145.598 °C
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Specification
The 5-Methylthiazole-2-carboxylic acid, with the CAS registry number 61291-21-2, has the systematic name of 5-methyl-1,3-thiazole-2-carboxylic acid. It is a kind of irritant chemical, and bleongs to the following product categories: Carboxylic Acids; Thiazoles, Isothiazoles & Benzothiazoles. And the molecular formula of this chemical is C5H5NO2S.
The physical properties of 5-Methylthiazole-2-carboxylic acid are as following: (1)ACD/LogP: 0.75; (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: 1.599; (12)Molar Refractivity: 34.483 cm3; (13)Molar Volume: 100.941 cm3; (14)Polarizability: 13.67×10-24cm3; (15)Surface Tension: 62.973 dyne/cm; (16)Density: 1.418 g/cm3; (17)Flash Point: 145.598 °C; (18)Enthalpy of Vaporization: 58.966 kJ/mol; (19)Boiling Point: 317.135 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cnc(s1)C(=O)O
(2)InChI: InChI=1/C5H5NO2S/c1-3-2-6-4(9-3)5(7)8/h2H,1H3,(H,7,8)
(3)InChIKey: UYDGNRLMYZMDOG-UHFFFAOYAR
