Molecular properties
- Formula
- C4H6N2S
- Molar mass
- 114.17 g·mol−1
- Exact mass
- 114.0252 Da
- 3
- PubChem CID
- 1349907
Molecule record
3-methyl-1H-imidazole-2-thione
C4H6N2S
114.17 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
- 1-Methyl-1H-imidazole-2-thiol
- 1-Methylimidazole-2-thiol
- 60-56-0
- Danantizol
- Favistan
- Frentirox
- Mercaptazole
- Mercazole
Show all 24 synonyms
- Mercazolyl
- Merkazolil
- Metazolo
- Methimazol
- Metothyrin
- Metothyrine
- Metotirin
- Strumazol
- Tapazole
- Thacapzol
- Thiamazol
- Thycapzol
- Thymidazol
- Thymidazole
- methimazole
- thiamazole
Structure identifiers
- Canonical SMILES
- Cn1cc[nH]c1=S
- Isomeric SMILES
- CN1C=CNC1=S
- InChI
- InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
- InChIKey
- PMRYVIKBURPHAH-UHFFFAOYSA-N
- PubChem CID
- 1349907
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-1H-imidazole-2-thione; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-methyl-1H-imidazole-2-thione; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.