Molecule record

dibenzothiophene

C12H8S

184.26 g/mol

Loading structure

Molecular properties

Formula
C12H8S
Molar mass
184.26 g·mol−1
Exact mass
184.0347 Da
9
PubChem CID
3023

Functional groups

Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (1,1'-Biphenyl)-2,2'-diyl sulfide
  • .alpha.-Thiafluorene
  • 132-65-0
  • 2,2'-Biphenylylene sulfide
  • 205-072-9
  • 9-Thiafluorene
  • C12H8S
  • CAS-132-65-0
Show all 24 synonyms
  • CCRIS 5307
  • CHEBI:23681
  • DTXCID0027725
  • DTXSID0047741
  • Dibenzo[b,d]thiophene
  • Dibenzothiophene [USAN]
  • Dibenzothiophene, analytical standard
  • Diphenylene sulfide
  • MFCD00004969
  • NCGC00094646-01
  • NSC-2843
  • NSC2843
  • RefChem:132856
  • Z3D4AJ1R48
  • alpha-Thiafluorene
  • benzo[b]benzo[b]thiophene

Structure identifiers

Canonical SMILES
c1ccc2c(c1)sc1ccccc12
Isomeric SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3S2
InChI
InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKey
IYYZUPMFVPLQIF-UHFFFAOYSA-N
PubChem CID
3023

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for dibenzothiophene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for dibenzothiophene; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record
dibenzothiophene - Formula, Structure | ChemArche