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CAS No.: | 6453-99-2 |
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Name: | 3-BENZOYLTHIOPHENE |
Article Data: | 63 |
Molecular Structure: | |
Formula: | C11H8OS |
Molecular Weight: | 188.25 |
Synonyms: | Phenyl 3-Thienyl ketone; |
Density: | 1.198 g/cm3 |
Melting Point: | 63.5°C |
Boiling Point: | 303 °C at 760 mmHg |
Flash Point: | 137 °C |
PSA: | 45.31000 |
LogP: | 2.97910 |
The Methanone,phenyl-3-thienyl-, with the CAS registry number of 6453-99-2, is also known as Phenyl 3-Thienyl ketone. This chemical's molecular formula is C11H8OS and molecular weight is 188.25. What's more, its IUPAC name is Phenyl(thiophen-3-yl)methanone.
Physical properties about the Methanone,phenyl-3-thienyl- are: (1)ACD/LogP: 2.86; (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: 1.609; (8)Molar Refractivity: 54.43 cm3; (9)Molar Volume: 157 cm3; (10)Surface Tension: 46.5 dyne/cm; (11)Density: 1.198 g/cm3; (12)Flash Point: 137 °C; (13)Enthalpy of Vaporization: 54.33 kJ/mol; (14)Boiling Point: 303 °C at 760 mmHg; (15)Vapour Pressure: 0.000956 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1)c2ccsc2
(2) InChI: InChI=1/C11H8OS/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h1-8H
(3) InChIKey: CMOJGEQZTCYQET-UHFFFAOYAZ