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CAS No.: | 1665-41-4 |
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Name: | 1-(5-Phenylthien-2-yl)ethanone |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C12H10OS |
Molecular Weight: | 202.277 |
Synonyms: | 1-(5-phenylthiophen-2-yl)ethanone;Ethanone, 1-(5-phenyl-2-thienyl)-;1-(5-Phenylthiophen-2-yl)ethan-1-one |
Density: | 1.151 g/cm3 |
Boiling Point: | 363.8 °C at 760 mmHg |
Flash Point: | 173.8 °C |
PSA: | 45.31000 |
LogP: | 3.61770 |
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This chemical is called 1-(5-Phenylthiophen-2-yl)ethanone, and its CAS registry number is 1665-41-4. With the molecular formula of C12H10OS, its molecular weight is 202.27.
Other characteristics of the 1-(5-Phenylthiophen-2-yl)ethanone can be summarised as followings: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.31 Å2; (7)Index of Refraction: 1.589; (8)Molar Refractivity: 59.25 cm3; (9)Molar Volume: 175.7 cm3; (10)Polarizability: 23.49×10-24cm3; (11)Surface Tension: 42.6 dyne/cm; (12)Density: 1.151 g/cm3; (13)Flash Point: 173.8 °C; (14)Enthalpy of Vaporization: 60.99 kJ/mol; (15)Boiling Point: 363.8 °C at 760 mmHg; (16)Vapour Pressure: 1.76E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c2sc(c1ccccc1)cc2)C
2.InChI: InChI=1/C12H10OS/c1-9(13)11-7-8-12(14-11)10-5-3-2-4-6-10/h2-8H,1H3
3.InChIKey: SPXBZAHGTSZQLL-UHFFFAOYAY