Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Methylthiazole-2-carboxylic acid |
EINECS | N/A |
CAS No. | 61291-21-2 | Density | 1.418 g/cm3 |
PSA | 78.43000 | LogP | 1.14970 |
Solubility | Slightly soluble in water. | Melting Point |
N/A |
Formula | C5H5NO2S | Boiling Point | 317.135 °C at 760 mmHg |
Molecular Weight | 143.166 | Flash Point | 145.598 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
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; |
Article Data | 3 |
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