Molecule record

4-chloro-1,2-thiazole

C3H2ClNS

119.58 g/mol

Loading structure

Molecular properties

Formula
C3H2ClNS
Molar mass
119.58 g·mol−1
Exact mass
118.9596 Da
3
PubChem CID
20508531

Functional groups

Aryl halide

Physical properties

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

Common names and synonyms

  • 25039-53-6
  • 4-chloroisothiazole
  • AKOS027337574
  • AS-57771
  • CS-0062262
  • DB-332260
  • EN300-108634
  • F13704
Show all 13 synonyms
  • Isothiazole, 4-chloro-
  • MFCD17677238
  • SCHEMBL2042911
  • SCHEMBL2045333
  • SCHEMBL4027140

Structure identifiers

Canonical SMILES
Clc1cnsc1
Isomeric SMILES
C1=C(C=NS1)Cl
InChI
InChI=1S/C3H2ClNS/c4-3-1-5-6-2-3/h1-2H
InChIKey
YHRSRHKHEVJSBL-UHFFFAOYSA-N
PubChem CID
20508531

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

Simulated EI mass spectrum

On-demand educational fragmentation for 4-chloro-1,2-thiazole; not experimental data.

Sources

Molecule identity

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

Open source record