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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Similar compounds

1,4-Diacetylbenzene1009-61-660 % similar 4-Acetylbenzenesulphonamide1565-17-959 % similar 4-Acetylbenzenesulfonyl chloride1788-10-959 % similar 4-(Methylsulfonyl)benzoic acid4052-30-659 % similar 1-[4-(Benzenesulfonyl)phenyl]ethan-1-one65085-83-858 % similar 2-Bromo-4'-(methylsulfonyl)acetophenone50413-24-654 % similar 4,4'-Diacetylbiphenyl787-69-954 % similar P-Methylacetophenone122-00-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester13669-10-8 Phenylsulfonylacetone5000-44-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook