chempirical

2-Acetyl-5-chlorothiophene

C6H5ClOSCAS 6310-09-4160.61 g/mol

Open in Covalent MOL file
OClS
Aryl halideKetone

Properties

Molecular formula
C6H5ClOS
Molar mass
160.61 g/mol
Exact mass
159.9750 Da
Melting point
52 °C
Boiling point
95–96 °C (at 7 Torr)
logP
2.60Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
6310-09-4
SMILES
CC(=O)c1ccc(Cl)s1
InChIKey
HTZGPEHWQCRXGZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Ethanone, 1-(5-chloro-2-thienyl)-
  • Ketone, 5-chloro-2-thienyl methyl
  • 1-(5-Chloro-2-thienyl)ethanone
  • 5-Chloro-2-acetylthiophene
  • 2-Chloro-5-acetylthiophene
  • NSC 43020
  • 1-(5-Chlorothiophen-2-yl)ethanone
  • 1-(5-Chlorothiophen-2-yl)ethan-1-one
  • 1-(5-Chlorothien-2-yl)-1-ethanone

Work with 2-Acetyl-5-chlorothiophene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Acetyl-5-methylthiophene13679-74-857 % similar 5-Chloro-2-thiophenecarboxylic acid24065-33-655 % similar 2-Acetyl-5-bromothiophene5370-25-255 % similar 5-Acetyl-2-thiophenecarboxylic acid4066-41-553 % similar 3-Acetyl-2,5-dichlorothiophene36157-40-147 % similar 2,5-Dichlorothiophene3172-52-944 % similar 2-Acetylbenzothiophene22720-75-842 % similar 1-(2,6-Dichlorophenyl)ethanone2040-05-341 % similar

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

Same formula

2-Thiopheneacetyl chloride39098-97-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook