Molecular properties
- Formula
- C8H5BrS
- Molar mass
- 213.10 g·mol−1
- Exact mass
- 211.9295 Da
- 6
- PubChem CID
- 12094208
Molecule record
4-bromo-1-benzothiophene
C8H5BrS
213.10 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
- 4-BROMOBENZOTHIOPHENE
- 4-Bromo-benzo[b]thiophene
- 4-Bromobenzo[b]thiophene
- 4-bromobenzo[b]-thiophene
- 5118-13-8
- 814-115-6
- AKOS005256733
- Benzo[b]thiophene, 4-bromo-
Show all 24 synonyms
- C1=CC2=C(C=CS2)C(=C1)Br
- CS-W019783
- DTXCID40428244
- DTXSID40477434
- FB57657
- MFCD08669544
- PB20282
- QPBSEYFVZDMBFW-UHFFFAOYSA
- QPBSEYFVZDMBFW-UHFFFAOYSA-N
- RB3307
- RefChem:291097
- SCHEMBL295451
- SCHEMBL4801620
- SCHEMBL5536786
- SCHEMBL5538525
- WX2K6MB5BY
Structure identifiers
- Canonical SMILES
- Brc1cccc2sccc12
- Isomeric SMILES
- C1=CC2=C(C=CS2)C(=C1)Br
- InChI
- InChI=1S/C8H5BrS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H
- InChIKey
- QPBSEYFVZDMBFW-UHFFFAOYSA-N
- PubChem CID
- 12094208
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 4-bromo-1-benzothiophene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-bromo-1-benzothiophene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.