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Molecule record

4-bromo-1,2,3-benzothiadiazole

C6H3BrN2S

215.07 g/mol

Loading structure

Molecular properties

Formula
C6H3BrN2S
Molar mass
215.07 g·mol−1
Exact mass
213.9200 Da
6
PubChem CID
13248533

Functional groups

Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • 31860-00-1
  • 4-Bromobenzo[d][1,2,3]thiadiazole
  • 4-bromobenzothiadiazole
  • 843-542-0
  • DB-396478
  • EN300-1720017
  • GBA86000
  • RefChem:518803
Show all 11 synonyms
  • SCHEMBL2273232
  • SCHEMBL29942154
  • SCHEMBL8719892

Structure identifiers

Canonical SMILES
Brc1cccc2snnc12
Isomeric SMILES
C1=CC2=C(C(=C1)Br)N=NS2
InChI
InChI=1S/C6H3BrN2S/c7-4-2-1-3-5-6(4)8-9-10-5/h1-3H
InChIKey
JOTJVGRMHKCMFF-UHFFFAOYSA-N
PubChem CID
13248533

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-1,2,3-benzothiadiazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-bromo-1,2,3-benzothiadiazole; 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