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Molecule record

4-phenyl-1,2-thiazole

C9H7NS

161.23 g/mol

Loading structure

Molecular properties

Formula
C9H7NS
Molar mass
161.23 g·mol−1
Exact mass
161.0299 Da
7
PubChem CID
136748

Functional groups

Aromatic ring

Physical properties

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

Common names and synonyms

  • 4-Phenylisothiazole
  • 4-phenyl-isothiazole
  • 936-46-9
  • AKOS006370998
  • CHEMBL4850569
  • DS-015382
  • DTXCID60161969
  • DTXSID40239478
Show all 18 synonyms
  • EN300-7690888
  • Isothiazole, 4-phenyl-
  • NSC 111912
  • NSC111912
  • RAUUYMXHIUAZCW-UHFFFAOYSA-N
  • RefChem:100374
  • S4VZF8W58M
  • SCHEMBL4171058
  • SCHEMBL7053543
  • SCHEMBL9454543

Structure identifiers

Canonical SMILES
c1ccc(-c2cnsc2)cc1
Isomeric SMILES
C1=CC=C(C=C1)C2=CSN=C2
InChI
InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H
InChIKey
RAUUYMXHIUAZCW-UHFFFAOYSA-N
PubChem CID
136748

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-phenyl-1,2-thiazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-phenyl-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.

PubChem(link only)
Open source record