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23821-92-3

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Basic Information
CAS No.: 23821-92-3
Name: METHYL (2,4-DIPHENYLTHIAZOL-5-YL)ACETATE
Molecular Structure:
Molecular Structure of 23821-92-3 (METHYL (2,4-DIPHENYLTHIAZOL-5-YL)ACETATE)
Formula: C18H15NO2S
Molecular Weight: 309.3822
Synonyms: Methyl (2,4-diphenyl-1,3-thiazol-5-yl)acetate;
Density: 1.21 g/cm3
Boiling Point: 485.1 °C at760mmHg
Flash Point: 247.2 °C
PSA: 67.43000
LogP: 4.19260
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Specification

The CAS registry number of 5-Thiazoleacetic acid,2,4-diphenyl-, methyl ester is 23821-92-3. Its molecular formula is C18H15NO2S and molecular weight is 309.3822. Its systematic name is called Methyl (2,4-diphenyl-1,3-thiazol-5-yl)acetate.

Physical properties about 5-Thiazoleacetic acid,2,4-diphenyl-, methyl ester are: (1)ACD/LogP: 4.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.74; (4)ACD/LogD (pH 7.4): 4.74; (5)ACD/BCF (pH 5.5): 2375.52; (6)ACD/BCF (pH 7.4): 2375.71; (7)ACD/KOC (pH 5.5): 9077.24; (8)ACD/KOC (pH 7.4): 9077.97; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.603; (13)Molar Refractivity: 87.86 cm3; (14)Molar Volume: 255.5 cm3; (15)Surface Tension: 47.9 dyne/cm; (16)Density: 1.21 g/cm3; (17)Flash Point: 247.2 °C; (18)Enthalpy of Vaporization: 75.05 kJ/mol; (19)Boiling Point: 485.1 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)Cc1sc(nc1c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C18H15NO2S/c1-21-16(20)12-15-17(13-8-4-2-5-9-13)19-18(22-15)14-10-6-3-7-11-14/h2-11H,12H2,1H3
(3)InChIKey: CLEANVYWRNZNHG-UHFFFAOYAV