Benzoic acid,3-(2-thiazolyl)-, ethyl ester supplier

Name
Ethyl 3-(1,3-thiazol-2-yl)benzoate
EINECS
CAS No. 886851-29-2
Density 1.216 g/cm³
Solubility
Melting Point 50 °C
Formula C₁₂H₁₁NO₂S
Boiling Point 378.8 °C at 760 mmHg
Molecular Weight 233.28624
Flash Point 182.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 3-(1,3-thiazol-2-yl)benzoate;Ethyl 3-(1,3-thiazol-2-yl)benzoate 97%
PSA 67.43000
LogP 2.98680

Benzoic acid,3-(2-thiazolyl)-, ethyl ester Specification

The Benzoic acid,3-(2-thiazolyl)-, ethyl ester, with CAS registry number 886851-29-2, has the systematic name of ethyl 3-thiazol-2-ylbenzoate. Besides this, it is also called Ethyl 3-(1,3-thiazol-2-yl)benzoate. Its molecular weight is 233.28624. And the chemical formula of this chemical is C₁₂H₁₁NO₂S.

Physical properties of Benzoic acid,3-(2-thiazolyl)-, ethyl ester: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.02; (4)ACD/LogD (pH 7.4): 4.02; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 67.43 Å²; (9)Index of Refraction: 1.578; (10)Molar Refractivity: 63.72 cm³; (11)Molar Volume: 191.8 cm³; (12)Polarizability: 25.26×10^-24cm³; (13)Surface Tension: 47.1 dyne/cm; (14)Density: 1.216 g/cm³; (15)Flash Point: 182.9 °C; (16)Enthalpy of Vaporization: 62.67 kJ/mol; (17)Boiling Point: 378.8 °C at 760 mmHg; (18)Vapour Pressure: 6.13E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cccc(c1)c2nccs2
(2)InChI: InChI=1/C12H11NO2S/c1-2-15-12(14)10-5-3-4-9(8-10)11-13-6-7-16-11/h3-8H,2H2,1H3
(3)InChIKey: LHYDRQQHIJUWDE-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H11NO2S/c1-2-15-12(14)10-5-3-4-9(8-10)11-13-6-7-16-11/h3-8H,2H2,1H3
(5)Std. InChIKey: LHYDRQQHIJUWDE-UHFFFAOYSA-N

Product Name

Ethyl 3-(1,3-thiazol-2-yl)benzoate

Benzoic acid,3-(2-thiazolyl)-, ethyl ester Specification

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