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| CAS No.: | 58333-72-5 |
|---|---|
| Name: | Ethyl 5-phenylthiazole-2-carboxylate |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C12H11NO2S |
| Molecular Weight: | 233.291 |
| Synonyms: | 2-Thiazolecarboxylic acid, 5-phenyl-, ethyl ester; |
| Density: | 1.216 g/cm3 |
| Melting Point: | 62-63 °C |
| Boiling Point: | 369.93 °C at 760 mmHg |
| Flash Point: | 177.527 °C |
| PSA: | 67.43000 |
| LogP: | 2.98680 |
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- Total:18 Page 1 of 1 1
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Specification
The Ethyl 5-phenylthiazole-2-carboxylate, with the CAS registry number 58333-72-5, is also known as 2-Thiazolecarboxylic acid, 5-phenyl-, ethyl ester. This chemical's molecular formula is C12H11NO2S and molecular weight is 233.2862. What's more, its systematic name is Ethyl 5-phenylthiazole-2-carboxylate.
Physical properties about this chemical are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 164.86; (6)ACD/BCF (pH 7.4): 164.86; (7)ACD/KOC (pH 5.5): 1344.679; (8)ACD/KOC (pH 7.4): 1344.684; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 63.726 cm3; (15)Molar Volume: 191.821 cm3; (16)Polarizability: 25.263×10-24 cm3; (17)Surface Tension: 47.121 dyne/cm; (18)Density: 1.216 g/cm3; (19)Flash Point: 177.527 °C; (20)Enthalpy of Vaporization: 61.677 kJ/mol; (21)Boiling Point: 369.93 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of Ethyl 5-phenylthiazole-2-carboxylate: this chemical is prepared by Phenacyl-oxalamic acid ethyl ester by heating. The reaction needs reagent P2S5 and solvent CHCl3. The reaction time is 20 hours. The yield is about 86.5 %.
Uses of Ethyl 5-phenylthiazole-2-carboxylate: it is used to produce other chemicals. For example, it is used to produce 5-Phenyl-2-thiazolecarbohydrazide by heating. The reaction needs reagent NH2NH2•H2O and solvent Ethanol. The reaction time is 1 hour. The yield is about 92 %.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1ncc(s1)c2ccccc2
(2) InChI: InChI=1/C12H11NO2S/c1-2-15-12(14)11-13-8-10(16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
(3) InChIKey: FWBZHFHLKWUNKL-UHFFFAOYAY