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Basic Information
CAS No.: 42156-17-2
Name: Thiazole,2-(4-ethylphenyl)-
Molecular Structure:
Molecular Structure of 42156-17-2 (Thiazole,2-(4-ethylphenyl)-)
Formula: C11H11NS
Molecular Weight: 189.2767
Synonyms: 2-(4-Ethylphenyl)thiazole;
Density: 1.112 g/cm3
Boiling Point: 302.165 °C at 760 mmHg
Flash Point: 137.381 °C
PSA: 41.13000
LogP: 3.37250
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Specification

The Thiazole, 2-(4-ethylphenyl)-, with the CAS registry number of 42156-17-2, is also known as 2-(4-Ethylphenyl)-1, 3-thiazole. This chemical's molecular formula is C11H11NS and molecular weight is 189.2767. What's more, its systematic name is called 2-(4-Ethylphenyl)thiazole.

Physical properties about Thiazole, 2-(4-ethylphenyl)- are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.419; (4)ACD/LogD (pH 7.4): 3.419; (5)ACD/BCF (pH 5.5): 233.438; (6)ACD/BCF (pH 7.4): 233.694; (7)ACD/KOC (pH 5.5): 1724.281; (8)ACD/KOC (pH 7.4): 1726.166; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 56.87 cm3; (15)Molar Volume: 170.239 cm3; (16)Surface Tension: 42.449 dyne/cm; (17)Density: 1.112 g/cm3; (18)Flash Point: 137.381 °C; (19)Enthalpy of Vaporization: 52.068 kJ/mol; (20)Boiling Point: 302.165 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCc1ccc(cc1)c2nccs2
(2) InChI: InChI=1/C11H11NS/c1-2-9-3-5-10(6-4-9)11-12-7-8-13-11/h3-8H,2H2,1H3
(3) InChIKey: JQZWLKZFQQTQLZ-UHFFFAOYAJ