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CAS No.: | 24043-97-8 |
---|---|
Name: | ETHYL 2-(2-THIENYL)-1,3-THIAZOLE-4-CARBOXYLATE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C10H9NO2S2 |
Molecular Weight: | 239.31 |
Synonyms: | ZINC00168585;2-thienyl-4-thiazolecarboxylic acid ethyl ester; |
Density: | 1.319 g/cm3 |
Melting Point: | 85-87 °C |
Boiling Point: | 374.7 °C at 760 mmHg |
Flash Point: | 180.4 °C |
PSA: | 95.67000 |
LogP: | 3.04830 |
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The Ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate, with the CAS registry number 24043-97-8, is also known as ZINC00168585. This chemical's molecular formula is C10H9NO2S2 and molecular weight is 239.31396. Its IUPAC name is called ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.
Physical properties of Ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate: (1)ACD/LogP: 3.43; (2)ACD/LogD (pH 5.5): 3.43; (3)ACD/LogD (pH 7.4): 3.43; (4)ACD/BCF (pH 5.5): 236.64; (5)ACD/BCF (pH 7.4): 236.64; (6)ACD/KOC (pH 5.5): 1741.7; (7)ACD/KOC (pH 7.4): 1741.7; (8)#H bond acceptors: 3 ; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.601; (11)Molar Refractivity: 62.11 cm3; (12)Molar Volume: 181.3 cm3; (13)Surface Tension: 51.5 dyne/cm; (14)Density: 1.319 g/cm3; (15)Flash Point: 180.4 °C; (16)Enthalpy of Vaporization: 62.21 kJ/mol; (17)Boiling Point: 374.7 °C at 760 mmHg; (18)Vapour Pressure: 8.19E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CSC(=N1)C2=CC=CS2
(2)InChI: InChI=1S/C10H9NO2S2/c1-2-13-10(12)7-6-15-9(11-7)8-4-3-5-14-8/h3-6H,2H2,1H3
(3)InChIKey: WACGLWUSWZXSBF-UHFFFAOYSA-N