chempirical

1,1′-Sulfonylbis[butane]

C8H18O2SCAS 598-04-9178.29 g/mol

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Sulfone

Properties

Molecular formula
C8H18O2S
Molar mass
178.29 g/mol
Exact mass
178.1028 Da
Melting point
45 °C
Boiling point
291 °C
logP
2.00Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
598-04-9
SMILES
CCCCS(=O)(=O)CCCC
InChIKey
AIDFJGKWTOULTC-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3

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

Names and synonyms

8 names
  • Butane, 1,1′-sulfonylbis-
  • Butyl sulfone
  • Dibutyl sulfone
  • Di-n-butyl sulfone
  • n-Butyl sulfone
  • NSC 2116
  • 1-Butylsulfonyl-butane
  • 1-Butylsulfonylbutane

Work with 1,1′-Sulfonylbis[butane]

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

Propyl sulfone598-03-867 % similar Sulfolane126-33-059 % similar Butanesulfonic acid2386-47-252 % similar Butanesulfonyl chloride2386-60-952 % similar Sodium 1-butanesulfonate2386-54-146 % similar 1-Hexadecanesulfonyl chloride38775-38-142 % similar 1-Octanesulfonic acid3944-72-742 % similar 1-Octanesulfonyl chloride7795-95-142 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook