The Ethanone,1-(2-phenyl-4-thiazolyl)- is an organic compound with the formula C11H9NOS. The systematic name of this chemical is 1-(2-phenyl-1,3-thiazol-4-yl)ethanone. With the CAS registry number 10045-52-0, it is also named as 2-Phenyl-4-acetyl-thiazole.
Physical properties about Ethanone,1-(2-phenyl-4-thiazolyl)- are: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 2.69; (3)ACD/LogD (pH 7.4): 2.69; (4)ACD/BCF (pH 5.5): 64.77; (5)ACD/BCF (pH 7.4): 64.77; (6)ACD/KOC (pH 5.5): 688.98; (7)ACD/KOC (pH 7.4): 688.98; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 58.2 Å2; (11)Index of Refraction: 1.594; (12)Molar Refractivity: 57.34 cm3; (13)Molar Volume: 168.9 cm3; (14)Polarizability: 22.73×10-24cm3; (15)Surface Tension: 47.3 dyne/cm; (16)Density: 1.203 g/cm3; (17)Flash Point: 167.6 °C; (18)Enthalpy of Vaporization: 59.84 kJ/mol; (19)Boiling Point: 353.5 °C at 760 mmHg; (20)Vapour Pressure: 3.58E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1nc(sc1)c2ccccc2)C
(2)InChI: InChI=1/C11H9NOS/c1-8(13)10-7-14-11(12-10)9-5-3-2-4-6-9/h2-7H,1H3
(3)InChIKey: ZOOGZFPRAKXWKI-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H9NOS/c1-8(13)10-7-14-11(12-10)9-5-3-2-4-6-9/h2-7H,1H3
(5)Std. InChIKey: ZOOGZFPRAKXWKI-UHFFFAOYSA-N
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