Molecular properties
- Formula
- C7H4BrNS
- Molar mass
- 214.09 g·mol−1
- Exact mass
- 212.9248 Da
- 6
- PubChem CID
- 612040
Molecule record
2-bromo-1,3-benzothiazole
C7H4BrNS
214.09 g/mol
Loading structure
Functional groups
Aromatic ring
Aryl halide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 2-Benzothiazolyl Bromide
- 2-Bromobenzothiazole
- 2-Bromobenzothiazole, 95%
- 2-bromo benzo[d]thiazole
- 2-bromo-benzothiazole
- 2-bromobenzo[d]thiazole
- 2-bromobenzthiazole
- 2516-40-7
Show all 24 synonyms
- 626-296-7
- AM20040020
- B3740
- Brexpiprazole Impurity 175
- CAS-2516-40-7
- CS-W004686
- DTXCID801498
- DTXSID2021498
- EN300-68964
- InChI=1/C7H4BrNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4
- MFCD02681887
- NCGC00256377-01
- RefChem:465788
- Tox21_302813
- Z415645026
- benzothiazole, 2-bromo-
Structure identifiers
- Canonical SMILES
- Brc1nc2ccccc2s1
- Isomeric SMILES
- C1=CC=C2C(=C1)N=C(S2)Br
- InChI
- InChI=1S/C7H4BrNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
- InChIKey
- DRLMMVPCYXFPEP-UHFFFAOYSA-N
- PubChem CID
- 612040
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-1,3-benzothiazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-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.