Molecular properties
- Formula
- C3H3NOS
- Molar mass
- 101.13 g·mol−1
- Exact mass
- 100.9935 Da
- 3
- PubChem CID
- 96917
Molecule record
1,2-thiazol-3-one
C3H3NOS
101.13 g/mol
Loading structure
Functional groups
No functional-group assignment has been curated yet.
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1,2-Thiazol-3(2H)-one
- 1,2-thiazol-3-ol
- 1003-07-2
- 3(2H)-Isothiazolone
- 3-Hydroxyisothiazole
- 3-Isothiazolone
- 3-Oxo-2,3-dihydroisothiazole
- 4-isothiazolin-3-one
Show all 24 synonyms
- DTXCID2032508
- DTXSID9074935
- E57JT172V7
- ISOTHIAZOLINONE
- Isothiazol-3(2H)-one
- Isothiazol-3-one
- Isothiazolin-3-one
- MFCD09834764
- NCIOpen2_001597
- NSC-93489
- NSC93489
- RefChem:792369
- SCHEMBL19431
- THIAZOL-3-ONE
- isothiazol-3-ol
- isothiazol-3-ol, AldrichCPR
Structure identifiers
- Canonical SMILES
- O=c1ccs[nH]1
- Isomeric SMILES
- C1=CSNC1=O
- InChI
- InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)
- InChIKey
- MGIYRDNGCNKGJU-UHFFFAOYSA-N
- PubChem CID
- 96917
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1,2-thiazol-3-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1,2-thiazol-3-one; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.