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Molecule record

3H-1,3-benzothiazol-2-one

C7H5NOS

151.19 g/mol

Loading structure

Molecular properties

Formula
C7H5NOS
Molar mass
151.19 g·mol−1
Exact mass
151.0092 Da
6
PubChem CID
13625

Functional groups

Aromatic ring

Physical properties

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

Common names and synonyms

  • 1,3-Benzothiazol-2-ol
  • 2(3H)-Benzothiazolone
  • 2-Benzothiazolinone
  • 2-Benzothiazolinone (8CI)
  • 2-Benzothiazolol (keto form)
  • 2-HYDROXYBENZOTHIAZOLE
  • 2-oxobenzothiazole
  • 3H-benzothiazole-2-one
Show all 24 synonyms
  • 7T26K7NG46
  • 934-34-9
  • AI3-24484
  • BENZTHIAZOLINE,2-ONE
  • Benzothiazol, 2-hydroxy-
  • Benzothiazolone
  • CHEBI:115196
  • Carbamothioic acid, (2-mercatophenyl)-, .gamma.-lactone
  • Carbamothioic acid, (2-mercatophenyl)-, gamma-lactone
  • DTXSID6061315
  • EINECS 213-281-1
  • NSC 26422
  • NSC 33823
  • NSC 7706
  • RefChem:118684
  • UNII-7T26K7NG46

Structure identifiers

Canonical SMILES
O=c1[nH]c2ccccc2s1
Isomeric SMILES
C1=CC=C2C(=C1)NC(=O)S2
InChI
InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey
YEDUAINPPJYDJZ-UHFFFAOYSA-N
PubChem CID
13625

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 3H-1,3-benzothiazol-2-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3H-1,3-benzothiazol-2-one; 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
3H-1,3-benzothiazol-2-one - Formula, Structure | ChemArche