Molecular properties
- Formula
- C3H4BrNS
- Molar mass
- 166.04 g·mol−1
- Exact mass
- 164.9248 Da
- 2
- PubChem CID
- 71699683
Molecule record
2-bromo-3H-1,2-thiazole
C3H4BrNS
166.04 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkene
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 2-bromoisothiazole
- SCHEMBL1426932
Structure identifiers
- Canonical SMILES
- BrN1CC=CS1
- Isomeric SMILES
- C1C=CSN1Br
- InChI
- InChI=1S/C3H4BrNS/c4-5-2-1-3-6-5/h1,3H,2H2
- InChIKey
- VQLISDSZZUXMEX-UHFFFAOYSA-N
- PubChem CID
- 71699683
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 2-bromo-3H-1,2-thiazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-bromo-3H-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.