chempirical

2-Acetylbenzothiophene

C10H8OSCAS 22720-75-8176.23 g/mol

Open in Covalent MOL file
OS
Ketone

Properties

Molecular formula
C10H8OS
Molar mass
176.23 g/mol
Exact mass
176.0296 Da
Melting point
88–89 °C
logP
3.10Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
22720-75-8
SMILES
CC(=O)c1cc2ccccc2s1
InChIKey
SGSGCQGCVKWRNM-UHFFFAOYSA-N
InChI
InChI=1S/C10H8OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3

Weigh it out

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

Names and synonyms

10 names
  • Ethanone, 1-benzo[b]thien-2-yl-
  • Ketone, benzo[b]thien-2-yl methyl
  • 1-Benzo[b]thien-2-ylethanone
  • 2-Acetylbenzo[b]thiophene
  • 1-(Benzo[b]thiophen-2-yl)ethan-1-one
  • 1-Benzo[b]thiophen-2-ylethanone
  • 1-(Benzothiophen-2-yl)ethanone
  • 1-(Benzothien-2-yl)ethanone
  • 1-(1-Benzothiophen-2-yl)ethan-1-one
  • 1-(1-Benzothiophen-2-yl)ethanone

Work with 2-Acetylbenzothiophene

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

Benzo[B]thiophene-2-carboxylic acid6314-28-959 % similar Benzo[b]thiophene-2-carboxylic hydrazide175135-07-646 % similar 9-Acetylanthracene784-04-346 % similar 2-Acetylnaphthalene93-08-346 % similar 2-Methylbenzothiophene1195-14-845 % similar 2-Acetylthiophene88-15-344 % similar 2-Acetyl-5-methylthiophene13679-74-843 % similar 2-Acetylbenzofuran1646-26-042 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook