Molecule record

3-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
15323364

Functional groups

Aryl halide

Physical properties

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

Common names and synonyms

  • 3-BROMO-ISOTHIAZOLE
  • 3-BROMOISOTHIAZOLE >97%
  • 3-Bromoisothiazole 95%
  • 3-bromoisothiazole
  • 55512-82-8
  • 691-027-2
  • AC-29635
  • AKOS006286135
Show all 24 synonyms
  • CS-W005994
  • DB-072003
  • DTXCID30522245
  • DTXSID10571473
  • EN300-116063
  • FB142249
  • Isothiazole, 3-bromo-
  • MFCD07778378
  • OTNWEAKNUYQUKP-UHFFFAOYSA-N
  • PS-5051
  • RefChem:277160
  • SB37646
  • SCHEMBL1426326
  • SCHEMBL2044214
  • SCHEMBL2044420
  • SY039106

Structure identifiers

Canonical SMILES
Brc1ccsn1
Isomeric SMILES
C1=CSN=C1Br
InChI
InChI=1S/C3H2BrNS/c4-3-1-2-6-5-3/h1-2H
InChIKey
OTNWEAKNUYQUKP-UHFFFAOYSA-N
PubChem CID
15323364

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 3-bromo-1,2-thiazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-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.

Open source record