Methanone,phenyl-3-thienyl- supplier

Name
3-BENZOYLTHIOPHENE
EINECS
CAS No. 6453-99-2
Article Data63
CAS DataBase
Density 1.198 g/cm³
Solubility
Melting Point 63.5°C
Formula C₁₁H₈OS
Boiling Point 303 °C at 760 mmHg
Molecular Weight 188.25
Flash Point 137 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenyl 3-Thienyl ketone;
PSA 45.31000
LogP 2.97910

Methanone,phenyl-3-thienyl- Specification

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

Product Name

3-BENZOYLTHIOPHENE

Methanone,phenyl-3-thienyl- Specification

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