The 4-Thiazoleethanol,5-methyl-2-(4-methylphenyl)- is the organic compound with the formula C13H15NOS. With the CAS registry number 496062-20-5, its systematic name is 2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol.
Physical properties of 4-Thiazoleethanol,5-methyl-2-(4-methylphenyl)-: (1)ACD/LogP: 2.60; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 189; (5)ACD/BCF (pH 7.4): 190; (6)ACD/KOC (pH 5.5): 1481; (7)ACD/KOC (pH 7.4): 1487; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 68.054 cm3; (13)Molar Volume: 200.295 cm3; (14)Surface Tension: 47.763 dyne/cm; (15)Density: 1.165 g/cm3; (16)Flash Point: 195.051 °C; (17)Enthalpy of Vaporization: 68.501 kJ/mol; (18)Boiling Point: 398.905 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)c2nc(CCO)c(C)s2
(2)InChI: InChI=1/C13H15NOS/c1-9-3-5-11(6-4-9)13-14-12(7-8-15)10(2)16-13/h3-6,15H,7-8H2,1-2H3
(3)InChIKey: WYBNHGNKCASDED-UHFFFAOYAR
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