Diphenyl sulfone

CAS 127-63-9  ·  C12H10O2S  ·  MW 218.27 g/mol

Full record: Diphenyl sulfone — Safety Data Sheet →

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3D model Diphenyl sulfone, CAS 127-63-9, molecular formula C12H10O2S, molar mass 218.27 g/mol

Model views

  • Diphenyl sulfone (CAS 127-63-9) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Diphenyl sulfone (CAS 127-63-9) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Diphenyl sulfone (CAS 127-63-9) – 2D structure, MolGod Viewer
    2D structure

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About Diphenyl sulfone

Diphenyl sulfone is a chemical compound registered under number CAS 127-63-9, with the molecular formula C12H10O2S, and a molar mass of 218.27 g/mol.

The molecule contains 25 atoms connected by 26 chemical bonds. The full systematic IUPAC name of this compound is benzenesulfonylbenzene. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.4 (positive value, a lipophilic compound), polar surface area PSA = 42.5 Ų, 0 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC12H10O2S
Molar mass218.27 g/mol
IUPACbenzenesulfonylbenzene
SMILESC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
InChIKeyKZTYYGOKRVBIMI-UHFFFAOYSA-N
logP (XLogP3)2.4
PSA42.5 Ų
HBD / HBA0 / 2
PubChem CIDCID 31386 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Harmful if swallowed

Scientific literature

Brak articles naukowych dla CAS 127-63-9 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
Diphenyl sulfone · 127-63-9 · Phenyl sulfone · DIPHENYLSULFONE · Sulfobenzide · Benzene, 1,1'-sulfonylbis- · Diphenyl sulphone · Phenyl sulphone · benzenesulfonylbenzene · 1,1'-sulfonyldibenzene · Sulfone, diphenyl · 1,1'-Sulfonylbisbenzene · Difenylsulfon · Difenylsulfon [Czech] · Caswell No. 399D
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Diphenyl sulfone · 127-63-9
InChIKey
KZTYYGOKRVBIMI-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Diphenyl sulfone (CAS 127-63-9)
License & provenance record
Diphenyl sulfone (CAS 127-63-9) →
MolGod molecule record
Diphenyl sulfone →
Source data
PubChem CID 31386 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
f2a3d3eb9ba1eda8cc4235305260171fe51b8effb540dad38484dd1c4e87e0bb
MD5 (STL)
6fd77dde85259fb1064901180a55f49c
MolGod Identification Number
MG_490-314-416-61
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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