4-Thiazoleaceticacid, 5-methyl-2-phenyl-, methyl ester supplier

Name
METHYL 2-(5-METHYL-2-PHENYL-1,3-THIAZOL-4-YL)ACETATE
EINECS
CAS No. 175136-29-5
Article Data4
CAS DataBase
Density 1.197g/cm³
Solubility
Melting Point 42 °C
Formula C₁₃H₁₃NO₂S
Boiling Point 381.6 °C at 760 mmHg
Molecular Weight 247.31
Flash Point 184.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (5-Methyl-2-phenylthiazol-4-yl)aceticacid methyl ester;
PSA 67.43000
LogP 2.83400

4-Thiazoleaceticacid, 5-methyl-2-phenyl-, methyl ester Specification

The 4-Thiazoleaceticacid, 5-methyl-2-phenyl-, methyl ester, with CAS registry number 175136-29-5, has the systematic name of methyl (5-methyl-2-phenyl-1,3-thiazol-4-yl)acetate. Besides this, it is also called Methyl (5-methyl-2-phenylthiazol-4-yl)acetate. And the chemical formula of this chemical is C₁₃H₁₃NO₂S.

Physical properties of 4-Thiazoleaceticacid, 5-methyl-2-phenyl-, methyl ester: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 245.15; (6)ACD/BCF (pH 7.4): 245.37; (7)ACD/KOC (pH 5.5): 1785.89; (8)ACD/KOC (pH 7.4): 1787.47; (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: 1.573; (14)Molar Refractivity: 68.1 cm³; (15)Molar Volume: 206.5 cm³; (16)Polarizability: 26.99×10^-24cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.197 g/cm³; (19)Flash Point: 184.6 °C; (20)Enthalpy of Vaporization: 62.99 kJ/mol; (21)Boiling Point: 381.6 °C at 760 mmHg; (22)Vapour Pressure: 5.02E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)Cc1nc(sc1C)c2ccccc2
(2)InChI: InChI=1/C13H13NO2S/c1-9-11(8-12(15)16-2)14-13(17-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
(3)InChIKey: IGRGQWSVDTYHID-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C13H13NO2S/c1-9-11(8-12(15)16-2)14-13(17-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
(5)Std. InChIKey: IGRGQWSVDTYHID-UHFFFAOYSA-N

Product Name

METHYL 2-(5-METHYL-2-PHENYL-1,3-THIAZOL-4-YL)ACETATE

4-Thiazoleaceticacid, 5-methyl-2-phenyl-, methyl ester Specification

Related Products

Hot Products