chempirical

Diphenyl sulfone

C12H10O2SCAS 127-63-9218.27 g/mol

Open in Covalent MOL file
OSO
Sulfone

Properties

Molecular formula
C12H10O2S
Molar mass
218.27 g/mol
Exact mass
218.0402 Da
Melting point
128.5 °C
Boiling point
279 °C
logP
2.52Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
127-63-9
SMILES
O=S(=O)(c1ccccc1)c1ccccc1
InChIKey
KZTYYGOKRVBIMI-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

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Names and synonyms

11 names
  • Benzene, 1,1′-sulfonylbis-
  • Phenyl sulfone
  • 1,1′-Sulfonylbis[benzene]
  • Diphenyl sulphone
  • DPS
  • Phenyl sulphone
  • Sulfobenzide
  • NSC 627706
  • NSC 6780
  • Sulfonyldibenzene
  • 1,1′-Sulfonyldibenzene

Work with Diphenyl 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

4-Chlorophenyl phenyl sulfone80-00-268 % similar 2-(Phenylsulfonyl)aniline4273-98-756 % similar Potassium diphenyl sulfone-3-sulfonate63316-43-852 % similar N-(Phenylsulfonyl)benzenesulfonamide2618-96-450 % similar Methyl phenyl sulfone3112-85-450 % similar Bis(phenylsulfonyl)methane3406-02-850 % similar Benzenesulfonyl fluoride368-43-450 % similar 4,4′-Difluorodiphenyl sulfone383-29-950 % similar

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

Same formula

4,4′-Thiodiphenol2664-63-3

Elsewhere

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