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Molecule record

1-benzothiophene-4-carbonitrile

C9H5NS

159.21 g/mol

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Molecular properties

Formula
C9H5NS
Molar mass
159.21 g·mol−1
Exact mass
159.0143 Da
8
PubChem CID
21816575

Functional groups

Aromatic ring
Nitrile

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 17347-34-1
  • 4-Cyanobenzothiophene
  • 4-cyanobenzo[b]thiophene
  • 982-077-9
  • CS-0235765
  • DB-351047
  • DQENDUJNYUIWCJ-UHFFFAOYSA-N
  • DTXCID20569129
Show all 21 synonyms
  • DTXSID90618375
  • EN300-1608394
  • F653544
  • RefChem:429642
  • SAA34734
  • SCHEMBL16288225
  • SCHEMBL16289818
  • SCHEMBL4312881
  • SCHEMBL4805309
  • SCHEMBL507550
  • Z1255460086
  • benzo[b]thiophene-4-carbonitrile
  • benzothiophene-4-carbonitrile

Structure identifiers

Canonical SMILES
N#Cc1cccc2sccc12
Isomeric SMILES
C1=CC(=C2C=CSC2=C1)C#N
InChI
InChI=1S/C9H5NS/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5H
InChIKey
DQENDUJNYUIWCJ-UHFFFAOYSA-N
PubChem CID
21816575

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-benzothiophene-4-carbonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-benzothiophene-4-carbonitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record