Molecular properties
- Formula
- C2H2N2S
- Molar mass
- 86.12 g·mol−1
- Exact mass
- 85.9939 Da
- 3
- PubChem CID
- 119391
Molecule record
1,3,4-thiadiazole
C2H2N2S
86.12 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
- 14IAC3GH7G
- 289-06-5
- 869-482-5
- AKOS006277879
- C2H2N2S
- CHEBI:39467
- CHEBI:39472
- Ceftezole Impurity 12
Show all 24 synonyms
- DTXCID60105580
- DTXSID00183089
- MBIZXFATKUQOOA-UHFFFAOYSA-N
- MFCD01311030
- MSK157343-1000M
- MSK157343-100M
- RefChem:72248
- SCHEMBL101846
- SCHEMBL11105274
- SCHEMBL29072
- SCHEMBL5020
- SCHEMBL972614
- THIADIAZOLE, 1,3,4-
- Thiadiazole
- UNII-14IAC3GH7G
- [1,3,4]thiadiazole
Structure identifiers
- Canonical SMILES
- c1nncs1
- Isomeric SMILES
- C1=NN=CS1
- InChI
- InChI=1S/C2H2N2S/c1-3-4-2-5-1/h1-2H
- InChIKey
- MBIZXFATKUQOOA-UHFFFAOYSA-N
- PubChem CID
- 119391
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 1,3,4-thiadiazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1,3,4-thiadiazole; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.