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Molecule record

1,2-thiazole-4-carbonitrile

C4H2N2S

110.14 g/mol

Loading structure

Molecular properties

Formula
C4H2N2S
Molar mass
110.14 g·mol−1
Exact mass
109.9939 Da
5
PubChem CID
138077

Functional groups

Nitrile

Physical properties

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

Common names and synonyms

  • 3912-37-6
  • 4-Isothiazolecarbonitrile
  • 4-cyanoisothiazole
  • 958-729-3
  • AKOS022632692
  • AS-42066
  • CHEMBL1982829
  • CS-0044096
Show all 24 synonyms
  • DB-263145
  • DTXCID90114862
  • DTXSID80192371
  • EN300-82992
  • ISOTHIAZOLE-4-CARBONITRILE
  • InChI=1/C4H2N2S/c5-1-4-2-6-7-3-4/h2-3
  • MFCD00046084
  • NCI60_007763
  • NSC-625191
  • NSC625191
  • RefChem:524355
  • SB36989
  • SCHEMBL1817430
  • SCHEMBL2001598
  • SCHEMBL2042841
  • SY116537

Structure identifiers

Canonical SMILES
N#Cc1cnsc1
Isomeric SMILES
C1=C(C=NS1)C#N
InChI
InChI=1S/C4H2N2S/c5-1-4-2-6-7-3-4/h2-3H
InChIKey
OCYPFRDEUKBLNI-UHFFFAOYSA-N
PubChem CID
138077

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 1,2-thiazole-4-carbonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1,2-thiazole-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