chempirical

3-Acetyl-2,5-dichlorothiophene

C6H4Cl2OSCAS 36157-40-1195.06 g/mol

Open in Covalent MOL file
OClSCl
Aryl halideKetone

Properties

Molecular formula
C6H4Cl2OS
Molar mass
195.06 g/mol
Exact mass
193.9360 Da
Melting point
39 °C
Boiling point
120–122 °C (at 6 Torr)
logP
3.26Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
36157-40-1
SMILES
CC(=O)c1cc(Cl)sc1Cl
InChIKey
GYFDNIRENHZKGR-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Ethanone, 1-(2,5-dichloro-3-thienyl)-
  • 1-(2,5-Dichloro-3-thienyl)ethanone
  • 2,5-Dichloro-3-thienyl methyl ketone
  • 2,5-Dichloro-3-acetylthiophene
  • 1-(2,5-Dichlorothiophen-3-yl)ethanone
  • 1-(2,5-Dichlorothiophen-3-yl)ethan-1-one

Work with 3-Acetyl-2,5-dichlorothiophene

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

2,5-Dichloro-3-thiophenecarboxylic acid36157-41-258 % similar 3-Acetyl-5-chloro-2-thiophenesulfonamide160982-10-555 % similar 2-Acetyl-5-chlorothiophene6310-09-447 % similar 2′-Chloroacetophenone2142-68-944 % similar 3-Acetyl-2,5-dimethylthiophene2530-10-142 % similar 1-(2,3-Dichlorophenyl)ethanone56041-57-742 % similar 1,3-Diacetylbenzene6781-42-641 % similar 2'-Chloro-4',5'-difluoroacetophenone121872-94-441 % similar

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

Elsewhere

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