Molecular properties
- Formula
- C12H7BrS
- Molar mass
- 263.16 g·mol−1
- Exact mass
- 261.9452 Da
- 9
- PubChem CID
- 13415616
Molecule record
3-bromodibenzothiophene
C12H7BrS
263.16 g/mol
Loading structure
Functional groups
Aromatic ring
Aryl halide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 11-bromo-8-thiatricyclo[7.4.0.0?,?]trideca-1(9),2,4,6,10,12-hexaene
- 3-Bromodibenzo[b,d]thiophene
- 3-bromo-dibenzothiophene
- 5-BROMO-8-THIATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),3,5,10,12-HEXAENE
- 5-bromo-8-thiatricyclo[7.4.0.0?,?]trideca-1(9),2(7),3,5,10,12-hexaene
- 815-535-2
- 97511-04-1
- A852716
Show all 24 synonyms
- AKOS027322912
- AS-57871
- B5452
- CS-0155956
- DA-21007
- Dibenzothiophene,3-bromo-
- F18747
- F546118
- FT-0699737
- MFCD11052997
- RefChem:499331
- SB66893
- SCHEMBL258838
- SCHEMBL29601409
- SCHEMBL29887048
- SY237587
Structure identifiers
- Canonical SMILES
- Brc1ccc2c(c1)sc1ccccc12
- Isomeric SMILES
- C1=CC=C2C(=C1)C3=C(S2)C=C(C=C3)Br
- InChI
- InChI=1S/C12H7BrS/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H
- InChIKey
- FDPBPKDNWCZVQR-UHFFFAOYSA-N
- PubChem CID
- 13415616
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-bromodibenzothiophene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-bromodibenzothiophene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.