CAS No.16441-34-2,(2-PHENYL-THIAZOL-4-YL)-ACETIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16441-34-2
Name:	(2-PHENYL-THIAZOL-4-YL)-ACETIC ACID ETHYL ESTER
Article Data:	6

Formula:	C₁₃H₁₃NO₂S
Molecular Weight:	247.318
Synonyms:	Ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate;(2-Phenyl-thiazol-4-yl)-acetic acid ethyl ester;
Density:	1.196 g/cm³
Boiling Point:	377.1 °C at 760 mmHg
Flash Point:	181.9 °C
PSA:	67.43000
LogP:	2.91570

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Specification

The CAS register number of 4-Thiazoleacetic acid,2-phenyl-, ethyl ester is 16441-34-2. It also can be called as (2-Phenyl-thiazol-4-yl)-acetic acid ethyl ester and the IUPAC name about this chemical is ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate. The molecular formula about this chemical is C₁₃H₁₃NO₂S and the molecular weight is 247.31.

Physical properties about 4-Thiazoleacetic acid,2-phenyl-, ethyl ester are: (1)ACD/LogP: 3.52; (2)ACD/LogD (pH 5.5): 3.52; (3)ACD/LogD (pH 7.4): 3.52; (4)ACD/BCF (pH 5.5): 277.84; (5)ACD/BCF (pH 7.4): 277.97; (6)ACD/KOC (pH 5.5): 1953.55; (7)ACD/KOC (pH 7.4): 1954.41; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 67.43 Å²; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 67.91 cm³; (13)Molar Volume: 206.7 cm³; (14)Polarizability: 26.92x10^-24cm³; (15)Surface Tension: 46.1 dyne/cm; (16)Density: 1.196 g/cm³; (17)Flash Point: 181.9 °C; (18)Enthalpy of Vaporization: 62.49 kJ/mol; (19)Boiling Point: 377.1 °C at 760 mmHg; (20)Vapour Pressure: 6.89E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)Cc1nc(sc1)c2ccccc2
(2)InChI: InChI=1/C13H13NO2S/c1-2-16-12(15)8-11-9-17-13(14-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
(3)InChIKey: JXKUWLHMTFDRRS-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H13NO2S/c1-2-16-12(15)8-11-9-17-13(14-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
(5)Std. InChIKey: JXKUWLHMTFDRRS-UHFFFAOYSA-N