chempirical

Propyl sulfone

C6H14O2SCAS 598-03-8150.24 g/mol

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Sulfone

Properties

Molecular formula
C6H14O2S
Molar mass
150.24 g/mol
Exact mass
150.0715 Da
Melting point
29.5 °C
Boiling point
270 °C
logP
1.22Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
598-03-8
SMILES
CCCS(=O)(=O)CCC
InChIKey
JEXYCADTAFPULN-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O2S/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Propane, 1,1′-sulfonylbis-
  • 1,1′-Sulfonylbis[propane]
  • Dipropyl sulfone
  • Di-n-propyl sulfone
  • NSC 4865
  • 1-Propylsulfonylpropane
  • 1-(Propane-1-sulfonyl)propane

Work with Propyl 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

1,1′-Sulfonylbis[butane]598-04-967 % similar Propanesulfonyl chloride10147-36-148 % similar 1-Propanesulfonic acid5284-66-248 % similar Sulfolane126-33-047 % similar Ethyl sulfone597-35-344 % similar Propylsulfonic acid sodium salt14533-63-243 % similar S-Propyl propanethiosulfonate1113-13-942 % similar Oxathiane 4,4-dioxide107-61-940 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook