chempirical

1-[(4-Methylphenyl)sulfonyl]-2-propanone

C10H12O3SCAS 5366-49-4212.26 g/mol

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OSOO
KetoneSulfone

Properties

Molecular formula
C10H12O3S
Molar mass
212.26 g/mol
Exact mass
212.0507 Da
Melting point
51 °C
Boiling point
167 °C (at 0.1 Torr)
logP
1.36Crippen estimate
Polar surface area
51.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
5366-49-4
SMILES
CC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIKey
NDQXJNHOGLQSMB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3S/c1-8-3-5-10(6-4-8)14(12,13)7-9(2)11/h3-6H,7H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • 2-Propanone, 1-[(4-methylphenyl)sulfonyl]-
  • 2-Propanone, 1-(p-tolylsulfonyl)-
  • 2-Propanone, p-tolylsulfonyl-
  • (p-Tolylsulfonyl)acetone
  • 1-Tosyl-2-propanone
  • 1-(4-Toluenesulfonyl)-2-propanone
  • Tosylacetone
  • 1-(4-Tolylsulfonyl)propan-2-one
  • 1-[(4-Methylphenyl)sulfonyl]acetone
  • 1-(p-Tolylsulfonyl)propan-2-one
  • 1-(4-Methylphenyl)sulfonyl-2-propanone
  • 1-(4-Methylbenzenesulfonyl)propan-2-one

Work with 1-[(4-Methylphenyl)sulfonyl]-2-propanone

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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