chempirical

1-[4-(Methylsulfonyl)phenyl]ethanone

C9H10O3SCAS 10297-73-1198.24 g/mol

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KetoneSulfone

Properties

Molecular formula
C9H10O3S
Molar mass
198.24 g/mol
Exact mass
198.0351 Da
Melting point
128–129 °C
logP
1.29Crippen estimate
Polar surface area
51.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
10297-73-1
SMILES
CC(=O)c1ccc(S(C)(=O)=O)cc1
InChIKey
KAVZYDHKJNABPC-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • 1-(4-Methanesulfonylphenyl)ethan-1-one
  • Ethanone, 1-[4-(methylsulfonyl)phenyl]-
  • Acetophenone, 4′-(methylsulfonyl)-
  • 4′-(Methylsulfonyl)acetophenone
  • 4-Methylsulfonylacetophenone
  • p-Methylsulfonylacetophenone
  • p-Acetylphenyl methyl sulfone
  • 1-(4-Methylsulfonylphenyl)ethanone
  • NSC 403928
  • 4-(Methylsulfonyl)propiophenone
  • 1-[4-(Methylsulfonyl)phenyl]ethan-1-one
  • 4-(Methanesulfonyl)acetophenone

Work with 1-[4-(Methylsulfonyl)phenyl]ethanone

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

Elsewhere

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