ChemArche
Sign inAccount

Molecule record

4-bromo-1,3-benzothiazole

C7H4BrNS

214.09 g/mol

Loading structure

Molecular properties

Formula
C7H4BrNS
Molar mass
214.09 g·mol−1
Exact mass
212.9248 Da
6
PubChem CID
3798911

Functional groups

Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • 4-BROMO-BENZOTHIAZOLE
  • 4-BROMOBENZO[D]THIAZOLE
  • 4-Bromobenzothiazole
  • 767-68-0
  • 840-311-6
  • AKOS015919982
  • Benzothiazole, 4-bromo- (7CI,8CI)
  • CS-W005649
Show all 23 synonyms
  • DTXSID80396579
  • EN300-197656
  • F067487
  • FS-2699
  • MFCD11858590
  • RefChem:520465
  • SB38656
  • SCHEMBL197613
  • SCHEMBL2595761
  • SCHEMBL557619
  • SY019447
  • TPL0348
  • Z1269177018
  • orb3022689
  • p-bromo-benzothiazole

Structure identifiers

Canonical SMILES
Brc1cccc2scnc12
Isomeric SMILES
C1=CC2=C(C(=C1)Br)N=CS2
InChI
InChI=1S/C7H4BrNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H
InChIKey
SXZKODVCLOIJGX-UHFFFAOYSA-N
PubChem CID
3798911

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-bromo-1,3-benzothiazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-bromo-1,3-benzothiazole; 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
4-bromo-1,3-benzothiazole - Formula, Structure | ChemArche