2-Acetylthiophene

C6H6OSCAS 88-15-3126.17 g/mol

Open in Covalent MOL file
OS
Ketone

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

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 1,479 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P405, P501

Identifiers

CAS number
88-15-3
SMILES
CC(=O)c1cccs1
InChIKey
WYJOVVXUZNRJQY-UHFFFAOYSA-N
InChI
InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3

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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

2-Thienyl ketone704-38-158 % similar 2,2'-Thenil7333-07-558 % similar Thiophene-2-carboxylic anhydride25569-97-552 % similar 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 2,2-Dimethyl-1-(thiophen-2-yl)propan-1-one20409-48-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Mercaptophenol1121-24-0 5-Methyl-2-thiophenecarboxaldehyde13679-70-4 3-Acetylthiophene1468-83-3 3-Hydroxybenzenethiol40248-84-8 3-Methyl-2-thiophenecarboxaldehyde5834-16-2 4-Mercaptophenol637-89-8

Elsewhere

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