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CAS No.: | 68751-05-3 |
---|---|
Name: | 5-Methyl-4-thiazolecarboxylic acid methyl ester |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H7NO2S |
Molecular Weight: | 157.193 |
Synonyms: | methyl 5-methyl-1,3-thiazole-4-carboxylate; |
Density: | 1.244 g/cm3 |
Melting Point: | 62-65℃ |
Boiling Point: | 221.3 °C at 760 mmHg |
Flash Point: | 87.7 °C |
Hazard Symbols: | Xn |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 67.43000 |
LogP: | 1.23810 |
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The 4-Thiazolecarboxylicacid, 5-methyl-, methyl ester, also known as Methyl 5-methylthiazole-4-carboxylate, is the organic compound with the formula C6H7NO2S. With the CAS registry number 68751-05-3, its IUPAC name is methyl 5-methyl-1,3-thiazole-4-carboxylate.
Physical properties of 4-Thiazolecarboxylicacid, 5-methyl-, methyl ester: (1)ACD/LogP: 0.88; (2)ACD/LogD (pH 5.5): 0.88; (3)ACD/LogD (pH 7.4): 0.88; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.535; (7)Molar Refractivity: 39.32 cm3; (8)Molar Volume: 126.3 cm3; (9)Surface Tension: 44.9 dyne/cm; (10)Density: 1.244 g/cm3; (11)Flash Point: 87.7 °C; (12)Enthalpy of Vaporization: 45.78 kJ/mol; (13)Boiling Point: 221.3 °C at 760 mmHg; (14)Vapour Pressure: 0.108 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(N=CS1)C(=O)OC
(2)InChI: InChI=1S/C6H7NO2S/c1-4-5(6(8)9-2)7-3-10-4/h3H,1-2H3
(3)InChIKey: FFDBALRFBPEJBH-UHFFFAOYSA-N