Molecular properties
- Formula
- C9H10NS
- Molar mass
- 164.25 g·mol−1
- Exact mass
- 164.0528 Da
- Formal charge
- +
- 5.5
- PubChem CID
- 182082
Molecule record
3-ethyl-1,3-benzothiazol-3-ium
C9H10NS
164.25 g/mol
Charge +
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 3-Ethylbenzo[d]thiazol-3-ium
- 3-ethylbenzothiazole
- 45861-85-6
- AE-641/01658056
- SBB087837
- SCHEMBL7251667
- SCHEMBL9771537
Structure identifiers
- Canonical SMILES
- CC[n+]1csc2ccccc21
- Isomeric SMILES
- CC[N+]1=CSC2=CC=CC=C21
- InChI
- InChI=1S/C9H10NS/c1-2-10-7-11-9-6-4-3-5-8(9)10/h3-7H,2H2,1H3/q+1
- InChIKey
- QGSALMLCNHOVOE-UHFFFAOYSA-N
- PubChem CID
- 182082
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 3-ethyl-1,3-benzothiazol-3-ium; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-ethyl-1,3-benzothiazol-3-ium; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.