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Molecule record

3-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
595044

Functional groups

Aromatic ring

Physical properties

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

Common names and synonyms

  • 10514-34-8
  • 3-Phenylisothiazole
  • AKOS006372967
  • DTXCID20295274
  • DTXSID60344199
  • Isothiazole, 3-phenyl-
  • QTRJTMPLVIRDHO-UHFFFAOYSA-N
  • RefChem:281805
Show all 14 synonyms
  • SCHEMBL18283689
  • SCHEMBL28047063
  • SCHEMBL301040
  • SCHEMBL8488514
  • SCHEMBL8489124
  • phenylisothiazole

Structure identifiers

Canonical SMILES
c1ccc(-c2ccsn2)cc1
Isomeric SMILES
C1=CC=C(C=C1)C2=NSC=C2
InChI
InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H
InChIKey
QTRJTMPLVIRDHO-UHFFFAOYSA-N
PubChem CID
595044

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

Simulated EI mass spectrum

On-demand educational fragmentation for 3-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