chempirical

Ethyl sulfone

C4H10O2SCAS 597-35-3122.18 g/mol

Open in Covalent MOL file
SOO
Sulfone

Properties

Molecular formula
C4H10O2S
Molar mass
122.18 g/mol
Exact mass
122.0402 Da
Density
1.3035 g/mL (at 20 °C)
Melting point
73.5 °C
Boiling point
248 °C
logP
0.44Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
597-35-3
SMILES
CCS(=O)(=O)CC
InChIKey
MBDUIEKYVPVZJH-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O2S/c1-3-7(5,6)4-2/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Ethane, 1,1′-sulfonylbis-
  • 1,1′-Sulfonylbis[ethane]
  • Diethyl sulfone
  • NSC 145719
  • (Ethylsulfonyl)ethane
  • 1-Ethylsulfonyl-ethane
  • (Ethanesulfonyl)ethane

Work with Ethyl sulfone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Ethylsulfonyl)ethanol513-12-255 % similar Propyl sulfone598-03-844 % similar Ethanesulfonamide1520-70-342 % similar Ethanesulfonyl chloride594-44-542 % similar Ethanesulfonic acid594-45-642 % similar 1,1′-Sulfonylbis[butane]598-04-940 % similar Methyl ethanesulfonate1912-28-338 % similar (Ethylsulfonyl)ethene1889-59-436 % similar

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

Same formula

Thiodiglycol111-48-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook