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CAS No.: | 10045-50-8 |
---|---|
Name: | 1-(2-PHENYL-1,3-THIAZOL-5-YL)-1-ETHANONE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C11H9NOS |
Molecular Weight: | 203.265 |
Synonyms: | Ketone,methyl 2-phenyl-5-thiazolyl (6CI,7CI,8CI);1-(2-Phenylthiazol-5-yl)ethanone; |
Density: | 1.203 g/cm3 |
Melting Point: | 151-153 °C |
Boiling Point: | 353.5 °C at 760 mmHg |
Flash Point: | 167.6 °C |
Hazard Symbols: | Xn |
Risk Codes: | Harmful:; "> Harmful:; |
Safety: | 26 |
PSA: | 58.20000 |
LogP: | 3.01270 |
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The Ethanone,1-(2-phenyl-5-thiazolyl)- is an organic compound with the formula C11H9NOS. The IUPAC name of this chemical is 1-(2-phenyl-1,3-thiazol-5-yl)ethanone. With the CAS registry number 10045-50-8, it is also named as 1-(2-phenylthiazol-5-yl)ethanone.
Physical properties about Ethanone,1-(2-phenyl-5-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(c1sc(nc1)c2ccccc2)C
(2)InChI: InChI=1/C11H9NOS/c1-8(13)10-7-12-11(14-10)9-5-3-2-4-6-9/h2-7H,1H3
(3)InChIKey: QAJAPTFQPWENFK-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H9NOS/c1-8(13)10-7-12-11(14-10)9-5-3-2-4-6-9/h2-7H,1H3
(5)Std. InChIKey: QAJAPTFQPWENFK-UHFFFAOYSA-N