2-Thiazolecarboxylicacid, 4-phenyl- (59020-44-9)

The 4-Phenylthiazole-2-carboxylic acid with the cas number 59020-44-9 is also called 2-thiazolecarboxylic acid, 4-phenyl-. The systematic name is 4-Phenyl-1,3-thiazole-2-carboxylic acid. Its molecular formula is C₁₀H₇NO₂S. This chemical belongs to the following product categories: (1)Carboxylic Acids; (2)Thiazoles, Isothiazoles &Benzothiazoles; (3)Carboxylic Acids; (4)Thiazoles, Isothiazoles & Benzothiazoles.
 

The properties of the chemical are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 67.43 Å²; (11)Index of Refraction: 1.643; (12)Molar Refractivity: 54.25 cm³; (13)Molar Volume: 149.9 cm³; (14)Polarizability: 21.5×10^-24cm³; (15)Surface Tension: 61.5 dyne/cm; (16)Enthalpy of Vaporization: 72.43 kJ/mol; (17)Vapour Pressure: 3.26×10^-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2nc(c1ccccc1)cs2
(2)InChI: InChI=1/C10H7NO2S/c12-10(13)9-11-8(6-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
(3)InChIKey: ORSGNNVYFOPYKB-UHFFFAOYAU