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| CAS No.: | 20737-48-8 |
|---|---|
| Name: | 4-Hydroxy-2-methylthiazole-5-carboxylicacidethylester |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C7H9NO3S |
| Molecular Weight: | 187.219 |
| Synonyms: | 4-Hydroxy-2-methylthiazole-5-carboxylicacid ethyl ester;Ethyl4-hydroxy-2-methylthiazole-5-carboxylate; |
| Density: | 1.325 g/cm3 |
| Boiling Point: | 270.7 °C at 760 mmHg |
| Flash Point: | 117.5 °C |
| PSA: | 87.66000 |
| LogP: | 1.33380 |
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Specification
The 5-Thiazolecarboxylicacid, 4-hydroxy-2-methyl-, ethyl ester, with the CAS registry number 20737-48-8, has the systematic name of ethyl 4-hydroxy-2-methyl-1,3-thiazole-5-carboxylate. And the molecular formula of this chemical is C7H9NO3S.
The physical properties of 5-Thiazolecarboxylicacid, 4-hydroxy-2-methyl-, ethyl ester are as following: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 10.29; (6)ACD/BCF (pH 7.4): 7.85; (7)ACD/KOC (pH 5.5): 183.24; (8)ACD/KOC (pH 7.4): 139.79; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 87.66 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 45.84 cm3; (15)Molar Volume: 141.2 cm3; (16)Polarizability: 18.17×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.325 g/cm3; (19)Flash Point: 117.5 °C; (20)Enthalpy of Vaporization: 52.94 kJ/mol ; (21)Boiling Point: 270.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00405 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1sc(C)nc1O
(2)Std. InChI: InChI=1S/C7H9NO3S/c1-3-11-7(10)5-6(9)8-4(2)12-5/h9H,3H2,1-2H3
(3)Std. InChIKey: XYSFQGYOGXKLQW-UHFFFAOYSA-N