Basic information
- Name:
1-(5-phenylthiophen-2-yl)ethanone
- CAS No.:
1665-41-4
- Molecular Structure:
- Formula:
- C12H10OS
- Molecular Weight:
- 202.27
- Density:
- 1.151 g/cm3
- Boiling Point:
- 363.8 °C at 760 mmHg
- Flash Point:
- 173.8 °C
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Specification
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
