Molecular properties
- Formula
- C9H5NS
- Molar mass
- 159.21 g·mol−1
- Exact mass
- 159.0143 Da
- 8
- PubChem CID
- 108686
Molecule record
1-benzothiophene-2-carbonitrile
C9H5NS
159.21 g/mol
Loading structure
Functional groups
Aromatic ring
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 2-Cyanobenzothiophene
- 55219-11-9
- 623-490-3
- AKOS012323503
- Benzo[b]thiophene-2-carbonitrile, 97%
- Benzothiophene-2-carbonitri
- Benzothiophene-2-carbonitrile
- CHEMBL596116
Show all 24 synonyms
- CS-W022576
- DB-001337
- DTXCID0041856
- DTXSID3073555
- FB143739
- FS-2945
- FT-0646320
- MFCD09751294
- RefChem:326198
- SCHEMBL120641
- SCHEMBL28351358
- SCHEMBL29529198
- SCHEMBL4806683
- SCHEMBL5253342
- SY057631
- benzo[b]thiophene-2-carbonitrile
Structure identifiers
- Canonical SMILES
- N#Cc1cc2ccccc2s1
- Isomeric SMILES
- C1=CC=C2C(=C1)C=C(S2)C#N
- InChI
- InChI=1S/C9H5NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H
- InChIKey
- RCYHXESNWFYTCU-UHFFFAOYSA-N
- PubChem CID
- 108686
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 1-benzothiophene-2-carbonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-benzothiophene-2-carbonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.