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Molecule record

4-bromodibenzothiophene

C12H7BrS

263.16 g/mol

Loading structure

Molecular properties

Formula
C12H7BrS
Molar mass
263.16 g·mol−1
Exact mass
261.9452 Da
9
PubChem CID
458352

Functional groups

Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • 4-Bromodibenzo[b,d]thiophene;Dibenzothiophene, 4-bromo-
  • 4-Bromodibenzo[b,d]thiophene;Dibenzothiophene, 4-romo-
  • 4-bromodibenzo[b,d]thiophene
  • 828-272-3
  • 97511-05-2
  • AKOS016008829
  • B4449
  • CS-W022120
Show all 22 synonyms
  • DB-028760
  • DS-4628
  • DTXCID00283598
  • DTXSID50332505
  • Dibenzothiophene, 4-bromo-
  • F238597
  • GEO-02665
  • GJXAVNQWIVUQOD-UHFFFAOYSA-N
  • InChI=1/C12H7BrS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7
  • MFCD02683746
  • RefChem:520498
  • SCHEMBL232632
  • SY030030
  • dibenzo[b,d]thiophene, 4-bromo-

Structure identifiers

Canonical SMILES
Brc1cccc2c1sc1ccccc12
Isomeric SMILES
C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)Br
InChI
InChI=1S/C12H7BrS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H
InChIKey
GJXAVNQWIVUQOD-UHFFFAOYSA-N
PubChem CID
458352

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 4-bromodibenzothiophene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-bromodibenzothiophene; not experimental data.

Sources

Molecule identity

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

PubChem(link only)
Open source record