Molecular properties
- Formula
- C4H5NS
- Molar mass
- 99.16 g·mol−1
- Exact mass
- 99.0143 Da
- 3
- PubChem CID
- 12747
Molecule record
3-methyl-1,2-thiazole
C4H5NS
99.16 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 2,3-DiMethyl-isothiazoliuM
- 3-METHYL-ISOTHIAZOLE
- 3-METHYLISOTHIAZOLE
- 3-methyl-isothiazol
- 693-92-5
- 879-123-4
- AC6637
- AKOS006273730
Show all 24 synonyms
- AS-5514
- DTXCID50141851
- DTXSID30219360
- Isothiazole, 3-methyl-
- MFCD00955579
- RefChem:281155
- SB38352
- SCHEMBL1568070
- SCHEMBL15902234
- SCHEMBL256940
- SCHEMBL292023
- SCHEMBL292531
- SCHEMBL432909
- SY023649
- WOTIUKDGJBXFLG-UHFFFAOYSA-N
- methylisothiazole
Structure identifiers
- Canonical SMILES
- Cc1ccsn1
- Isomeric SMILES
- CC1=NSC=C1
- InChI
- InChI=1S/C4H5NS/c1-4-2-3-6-5-4/h2-3H,1H3
- InChIKey
- WOTIUKDGJBXFLG-UHFFFAOYSA-N
- PubChem CID
- 12747
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 3-methyl-1,2-thiazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-methyl-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.