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| CAS No.: | 58334-08-0 |
|---|---|
| Name: | Ethyl 5-methylthiazole-2-carboxylate |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H9NO2S |
| Molecular Weight: | 171.22 |
| Synonyms: | Ethyl 5-methyl-1,3-thiazole-2-carboxylate; |
| Density: | 1.198 g/cm3 |
| Boiling Point: | 248.7 °C at 760 mmHg |
| Flash Point: | 104.2 °C |
| PSA: | 67.43000 |
| LogP: | 1.62820 |
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- Total:16 Page 1 of 1 1
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Specification
The Ethyl 5-methylthiazole-2-carboxylate has CAS registry number 58334-08-0. This chemical's molecular formula is C7H9NO2S and molecular weight is 171.2169. What's more, its systematic name is Ethyl 5-methyl-1, 3-thiazole-2-carboxylate.
Physical properties about Ethyl 5-methylthiazole-2-carboxylate are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 14.07; (6)ACD/BCF (pH 7.4): 14.07; (7)ACD/KOC (pH 5.5): 231; (8)ACD/KOC (pH 7.4): 231; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 43.95 cm3; (15)Molar Volume: 142.8 cm3; (16)Polarizability: 17.42×10-24 cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.198 g/cm3; (19)Flash Point: 104.2 °C; (20)Enthalpy of Vaporization: 48.59 kJ/mol; (21)Boiling Point: 248.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0239 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1ncc(s1)C
(2) InChI: InChI=1/C7H9NO2S/c1-3-10-7(9)6-8-4-5(2)11-6/h4H,3H2,1-2H3
(3) InChIKey: VEPAYOCGFBLRCU-UHFFFAOYAZ