2-Acetylthiophene
Properties
- Molecular formula
- C6H6OS
- Molar mass
- 126.17 g/mol
- Exact mass
- 126.0139 Da
- Density
- 1.1709 g/mL (at 20 °C)
- Melting point
- 10.5 °C
- Boiling point
- 213.5 °C
- logP
- 1.95Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
88-15-3SMILES
CC(=O)c1cccs1InChIKey
WYJOVVXUZNRJQY-UHFFFAOYSA-NInChI
InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Ethanone, 1-(2-thienyl)-
- Ketone, methyl 2-thienyl
- 1-(2-Thienyl)ethanone
- Methyl 2-thienyl ketone
- 2-Thienyl methyl ketone
- 2-Acetothienone
- α-Acetylthiophene
- 2-Acetothiophene
- 1-(2-Thienyl)-1-ethanone
- NSC 2345
- 1-(Thiophen-2-yl)ethanone
- Thiophen-2-yl methyl ketone
- 2-(Acetyl)thiofuran
- 1-(Thiophene-2-yl)ethanone
- 1-(Thiophen-2-yl)ethan-1-one
Reactions
Work with 2-Acetylthiophene
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
Thiophene-2-carboxylic acid527-72-052 % similar
2-Thiophenecarbonyl chloride5271-67-052 % similar
2-Thiophenecarboxamide5813-89-852 % similar
1-(2-Thienyl)-1-propanone13679-75-952 % similar
Methyl 2-thiophenecarboxylate5380-42-752 % similar
Ethyl 2-thiophenecarboxylate2810-04-048 % similar
1-(2-Thienyl)-1-butanone5333-83-548 % similar
2-Benzoylthiophene135-00-248 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds