Molecular properties
- Formula
- C5H9BrS
- Molar mass
- 181.10 g·mol−1
- Exact mass
- 179.9608 Da
- 1
- PubChem CID
- 23349500
Molecule record
2-bromothiane
C5H9BrS
181.10 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkyl halide
Sulfide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- SCHEMBL11426100
Structure identifiers
- Canonical SMILES
- BrC1CCCCS1
- Isomeric SMILES
- C1CCSC(C1)Br
- InChI
- InChI=1S/C5H9BrS/c6-5-3-1-2-4-7-5/h5H,1-4H2
- InChIKey
- NHOLQDOCBBCDPD-UHFFFAOYSA-N
- PubChem CID
- 23349500
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-bromothiane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-bromothiane; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.