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Molecule record

1,3-benzothiazole-2-carbonitrile

C8H4N2S

160.20 g/mol

Loading structure

Molecular properties

Formula
C8H4N2S
Molar mass
160.20 g·mol−1
Exact mass
160.0095 Da
8
PubChem CID
638560

Functional groups

Aromatic ring
Nitrile

Physical properties

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

Common names and synonyms

  • 2-Cyano-benzo[d]thiazole
  • 2-Cyanobenzothiazole
  • 2-Cyanobenzothiazole, 97%
  • 2-benzothiazolecarbonitrile
  • 2602-85-9
  • AKOS005171776
  • ALBB-008674
  • Benzo[d]thiazole-2-carbonitrile
Show all 24 synonyms
  • CHEMBL4855535
  • DS-5660
  • DTXSID60348576
  • MFCD08848199
  • RefChem:72483
  • SBB014679
  • SCHEMBL14742828
  • SCHEMBL19521479
  • SCHEMBL30938811
  • SCHEMBL492446
  • ST087653
  • STK505490
  • SY085121
  • UYHQUNLVWOAJQW-UHFFFAOYSA-N
  • benzothiazole-2-carbonitrile
  • benzothiazolecarbonitrile

Structure identifiers

Canonical SMILES
N#Cc1nc2ccccc2s1
Isomeric SMILES
C1=CC=C2C(=C1)N=C(S2)C#N
InChI
InChI=1S/C8H4N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H
InChIKey
UYHQUNLVWOAJQW-UHFFFAOYSA-N
PubChem CID
638560

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 1,3-benzothiazole-2-carbonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1,3-benzothiazole-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.

PubChem(link only)
Open source record