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| CAS No.: | 156589-82-1 |
|---|---|
| Name: | ETHYL 4-ISOPROPYLTHIAZOLE-2-CARBOXYLATE |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C9H13NO2S |
| Molecular Weight: | 199.274 |
| Synonyms: | 4-Isopropylthiazole-2-carboxylicacid ethyl ester;Ethyl 4-isopropyl-2-thiazolecarboxylate; |
| Density: | 1.128 g/cm3 |
| Boiling Point: | 268.143 °C at 760 mmHg |
| Flash Point: | 115.969 °C |
| PSA: | 67.43000 |
| LogP: | 2.44320 |
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Specification
The 2-Thiazolecarboxylicacid, 4-(1-methylethyl)-, ethyl ester, with the CAS registry number 156589-82-1, is also known as 4-Isopropylthiazole-2-carboxylicacid ethyl ester. This chemical's molecular formula is C9H13NO2S and molecular weight is 199.27. What's more, its systematic name is Ethyl 4-(propan-2-yl)-1,3-thiazole-2-carboxylate.
Physical properties about 2-Thiazolecarboxylicacid, 4-(1-methylethyl)-, ethyl ester-: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 49; (6)ACD/BCF (pH 7.4): 49; (7)ACD/KOC (pH 5.5): 560; (8)ACD/KOC (pH 7.4): 560; (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: 1.516; (14)Molar Refractivity: 53.319 cm3; (15)Molar Volume: 176.609 cm3; (16)Surface Tension: 40.04 dyne/cm; (17)Density: 1.128 g/cm3; (18)Flash Point: 115.969 °C; (19)Enthalpy of Vaporization: 50.62 kJ/mol; (20)Boiling Point: 268.143 °C at 760 mmHg; (21)Vapour Pressure: 0.008 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1nc(cs1)C(C)C
(2) InChI: InChI=1/C9H13NO2S/c1-4-12-9(11)8-10-7(5-13-8)6(2)3/h5-6H,4H2,1-3H3
(3) InChIKey: IYWKKZAAUKWYNT-UHFFFAOYAO