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CAS No.: | 35294-37-2 |
---|---|
Name: | 1-(4-THIOPHEN-2-YL-PHENYL)-ETHANONE |
Article Data: | 59 |
Molecular Structure: | |
Formula: | C12H10OS |
Molecular Weight: | 202.277 |
Synonyms: | 2-(4-Acetylphenyl)thiophene;4'-(2-Thienyl)acetophenone;1-[4-(2-Thienyl)phenyl]ethanone;1-(4-Thien-2-ylphenyl)ethanone; |
Density: | 1.151 g/cm3 |
Boiling Point: | 323 °C at 760 mmHg |
Flash Point: | 149.1 °C |
Hazard Symbols: | Xi |
PSA: | 45.31000 |
LogP: | 3.61770 |
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The Ethanone,1-[4-(2-thienyl)phenyl]-, with the CAS registry number 35294-37-2, is also known as 2-(4-Acetylphenyl)thiophene. This chemical's molecular formula is C12H10OS and molecular weight is 202.27. What's more, its systematic name is 1-(4-thiophen-2-ylphenyl)ethanone.
Physical properties of Ethanone,1-[4-(2-thienyl)phenyl]- are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 195.04; (6)ACD/BCF (pH 7.4): 195.04; (7)ACD/KOC (pH 5.5): 1516.64; (8)ACD/KOC (pH 7.4): 1516.64; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 59.25 cm3; (15)Molar Volume: 175.7 cm3; (16)Polarizability: 23.49×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.151 g/cm3; (19)Flash Point: 149.1 °C; (20)Enthalpy of Vaporization: 56.48 kJ/mol; (21)Boiling Point: 323 °C at 760 mmHg; (22)Vapour Pressure: 0.00027 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2ccc(c1sccc1)cc2)C
(2)InChI: InChI=1S/C12H10OS/c1-9(13)10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8H,1H3
(3)InChIKey: VZCHCIWHJLPPNF-UHFFFAOYSA-N