chempirical

(Ethylsulfonyl)benzene

C8H10O2SCAS 599-70-2170.23 g/mol

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SOO
Sulfone

Properties

Molecular formula
C8H10O2S
Molar mass
170.23 g/mol
Exact mass
170.0402 Da
Melting point
42 °C
Boiling point
101–103 °C (at 1 Torr)
logP
1.48Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
599-70-2
SMILES
CCS(=O)(=O)c1ccccc1
InChIKey
VBQUDDWATQWCPP-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

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Names and synonyms

6 names
  • Benzene, (ethylsulfonyl)-
  • Sulfone, ethyl phenyl
  • Ethyl phenyl sulfone
  • Phenyl ethyl sulfone
  • Phenylsulfonylethane
  • (Ethanesulfonyl)benzene

Work with (Ethylsulfonyl)benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

[(Methylsulfonyl)methyl]benzene3112-90-1 Methyl P-tolyl sulfone3185-99-7 2-Thiophenebutanoic acid4653-11-6 Ethyl 2-thienylacetate57382-97-5 S-(2-Furanylmethyl) propanethioate59020-85-8

Elsewhere

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