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Molecule record

Diphenyl sulfone

C12H10O2S

218.27 g/mol

2D structure for Diphenyl sulfone

Molecular properties

Formula
C12H10O2S
Molar mass
218.27 g·mol−1
Exact mass
218.0402 Da
8
0
2
42.50 Ų
2.4 (PubChem computed XLogP3-AA descriptor)
CAS
127-63-9
PubChem CID
31386

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Aromatic ring
Phenol

Physical properties

PropertyValueConditionsSource
Logp2.4PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1,1'-Sulfonylbisbenzene
  • 1,1'-sulfonyldibenzene
  • 127-63-9
  • BRN 1910573
  • Benzene, 1,1'-sulfonylbis-
  • Caswell No. 399D
  • DIPHENYLSULFONE
  • DTXSID6041892
Show all 22 synonyms
  • Difenylsulfon
  • Difenylsulfon [Czech]
  • Diphenyl sulphone
  • EINECS 204-853-1
  • EPA Pesticide Chemical Code 399500
  • NSC 627706
  • NSC 6780
  • Phenyl sulfone
  • Phenyl sulphone
  • Sulfobenzide
  • Sulfone, diphenyl
  • V25W2CFS3M
  • benzenesulfonylbenzene
  • bis-(phenyl)-sulfone

Structure identifiers

Canonical SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
Isomeric SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey
KZTYYGOKRVBIMI-UHFFFAOYSA-N
PubChem CID
31386

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for Diphenyl sulfone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Diphenyl sulfone; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record