ChemArche
Sign inAccount

Molecule record

4-bromo-1,2-thiazole

C3H2BrNS

164.03 g/mol

Loading structure

Molecular properties

Formula
C3H2BrNS
Molar mass
164.03 g·mol−1
Exact mass
162.9091 Da
3
PubChem CID
5200358

Functional groups

Aryl halide

Physical properties

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

Common names and synonyms

  • 24340-77-0
  • 4-BROMOISOTHIAZOLE
  • 4-Bromoisothiazole USP/EP/BP
  • 4-Bromoisothiazole>/= 95% (NMR)
  • 4-bromo-Isothiazole
  • 801-808-3
  • AB25618
  • AKOS005621106
Show all 24 synonyms
  • CS-0012647
  • DB-011311
  • DS-10962
  • DTXSID20409450
  • EN300-67301
  • F046383
  • Isothiazole, 4-bromo-
  • MFCD06657593
  • RefChem:520377
  • SBB013032
  • SCHEMBL193319
  • SCHEMBL2039829
  • SCHEMBL671507
  • ST091799
  • SY009259
  • XAGKUQWKQVTDSK-UHFFFAOYSA-N

Structure identifiers

Canonical SMILES
Brc1cnsc1
Isomeric SMILES
C1=C(C=NS1)Br
InChI
InChI=1S/C3H2BrNS/c4-3-1-5-6-2-3/h1-2H
InChIKey
XAGKUQWKQVTDSK-UHFFFAOYSA-N
PubChem CID
5200358

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-thiazole; not experimental data.

Simulated EI mass spectrum

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