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| CAS No.: | 14527-42-5 |
|---|---|
| Name: | Ethyl thiazole-2-carboxylate |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C6H7NO2S |
| Molecular Weight: | 157.193 |
| Synonyms: | Ethyl thiazole-2-carboxylate;2-(Ethoxycarbonyl)thiazole;Ethyl 1,3-thiazole-2-carboxylate; |
| Density: | 1.242 g/cm3 |
| Boiling Point: | 226.525 °C at 760 mmHg |
| Flash Point: | 90.8 °C |
| PSA: | 67.43000 |
| LogP: | 1.31980 |
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Specification
The 2-Thiazolecarboxylicacid, ethyl ester is an organic compound with the formula C6H7NO2S. The systematic name of this chemical is Ethyl 1,3-thiazole-2-carboxylate. The CAS registry number of this chemical is 14527-42-5. Besides, its molecular weight is 157.19.
The physical properties of 2-Thiazolecarboxylicacid, ethyl ester are: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 6; (5)ACD/BCF (pH 7.4): 6; (6)ACD/KOC (pH 5.5): 132; (7)ACD/KOC (pH 7.4): 132; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 67.43 Å2; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 39.134 cm3; (13)Molar Volume: 126.536 cm3; (14)Polarizability: 15.514×10-24 cm3; (15)Surface Tension: 45.821 dyne/cm; (16)Density: 1.242 g/cm3; (17)Flash Point: 90.8 °C; (18)Enthalpy of Vaporization: 46.307 kJ/mol; (19)Boiling Point: 226.525 °C at 760 mmHg; (20)Vapour Pressure: 0.081 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1nccs1
(2)InChI: InChI=1/C6H7NO2S/c1-2-9-6(8)5-7-3-4-10-5/h3-4H,2H2,1H3
(3)InChIKey: MVMPKHJUPNWMDZ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H7NO2S/c1-2-9-6(8)5-7-3-4-10-5/h3-4H,2H2,1H3
(5)Std. InChIKey: MVMPKHJUPNWMDZ-UHFFFAOYSA-N