chempirical

2-Benzoylthiophene

C11H8OSCAS 135-00-2188.24 g/mol

Open in Covalent MOL file
OS
Ketone

Properties

Molecular formula
C11H8OS
Molar mass
188.24 g/mol
Exact mass
188.0296 Da
Melting point
56.5 °C
Boiling point
300 °C
logP
2.98Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
135-00-2
SMILES
O=C(c1ccccc1)c1cccs1
InChIKey
DWYFUJJWTRPARQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Methanone, phenyl-2-thienyl-
  • Ketone, phenyl 2-thienyl
  • Phenyl-2-thienylmethanone
  • Phenyl 2-thienyl ketone
  • α-Benzoylthiophene
  • 2-Thienyl phenyl ketone
  • Phenyl(2-thienyl)methanone
  • NSC 4502
  • Phenyl thiophene-2-yl ketone

Reactions

Work with 2-Benzoylthiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(4-Fluorophenyl)-2-thienylmethanone579-49-768 % similar 1,4-Dibenzoylbenzene3016-97-554 % similar Suprofen40828-46-453 % similar 1,2-Dibenzoylbenzene1159-86-050 % similar (5-Bromo-2-thienyl)phenylmethanone31161-46-350 % similar Thiophene-2-carboxylic acid527-72-048 % similar 2-Thiophenecarbonyl chloride5271-67-048 % similar 2-Thiophenecarboxamide5813-89-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook