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CAS 3179-31-5

3-Mercapto-1,2,4-triazole TCI M0814

3-Mercapto-1,2,4-triazole TCI M0814

Chemical Identity

CAS No.
3179-31-5
PubChem
CID 2723802·SID 87572813
Formula
C2H3N3S
Molecular weight
101.13 g/mol
Purity
>98.0%(GC)(T)
Reference databases
ChemSpider·ECHA
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
1,2-dihydro-1,2,4-triazole-3-thione
SMILES
C1=NC(=S)NN1
InChIKey
AFBBKYQYNPNMAT-UHFFFAOYSA-N
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3-Mercapto-1,2,4-triazole is a five-membered heterocyclic compound containing three nitrogen atoms in the ring, with a mercapto group attached to the triazole core. The combination of a nitrogen-rich triazole nucleus and a sulfur functional group makes it a highly versatile building block across organic chemistry, coordination chemistry, and materials science laboratories. Researchers use it to construct functionalized heterocyclic derivatives, to prepare metal-complexing ligands, and to study protective layers formed on metal surfaces. This TCI product, supplied under catalogue code M0814, is available in three pack sizes so it can be matched to the scale of the work at hand.

The main advantage of this compound lies in its mercapto group, which is strongly nucleophilic and capable of forming bonds with a wide range of metal centres and metal surfaces. Compounds of this type are known to undergo thiol–thione tautomerism, which allows the molecule to act as a donor through either the sulfur atom or the ring nitrogen atoms. That flexibility is particularly valuable in ligand design and in the construction of coordination frameworks. In addition, the S–H group is readily alkylated or acylated to give thioether and thioester derivatives, while the ring nitrogen atoms provide further sites for chemical modification.

In Indonesian laboratories, this building block is typically found in university research groups, government research institutes, and industrial R&D units working on synthetic organic chemistry, coordination compounds, and surface science. The availability of 25 g, 100 g, and 500 g pack sizes allows a laboratory to purchase a small quantity for exploratory reactions and method development, then move to larger packs once a synthetic route is established and repeated preparations or scale-up work are required.

  • Heterocyclic synthesis: the compound serves as a starting scaffold for building functionalized triazole derivatives, since both the mercapto group and the ring nitrogen atoms offer reactive positions for further chemical elaboration.
  • Ligand preparation for coordination chemistry: thiol–thione tautomerism lets the molecule donate through sulfur or through ring nitrogen, making it a flexible ligand for forming complexes with a variety of metal centres.
  • Metal surface studies: the mercapto group binds readily to metal surfaces, so the compound is used in laboratory investigations of protective surface layers and the behaviour of adsorbed organosulfur films.
  • Thioether and thioester derivative synthesis: the S–H group is easily alkylated or acylated, giving chemists a straightforward and reliable route to a broad family of sulfur-substituted triazole products.
  • Coordination framework construction: the multiple potential donor atoms within a single small molecule make it useful for assembling extended coordination architectures and for exploring new ligand designs in materials research.

Brand TCI, catalogue code M0814
CAS number 3179-31-5
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Heterocyclic Building Blocks
Pack sizes 25 g, 100 g, and 500 g
Physical form —
Storage store according to the conditions stated on the product label and in the manufacturer's safety data sheet
  • Chemical name: 3-Mercapto-1,2,4-triazole

Keep the container tightly closed and store it in a cool, dry, well-ventilated area, away from direct sunlight and from incompatible materials, following the conditions given on the product label and in the manufacturer's safety data sheet. Retain the material in its original supplier container wherever possible; if transfer is needed, use a clean, dry, chemically compatible and clearly labelled container. Handle the compound in a fume hood and wear standard laboratory personal protective equipment, including a lab coat, safety glasses, and suitable chemical-resistant gloves. As with all thiol-bearing compounds, minimise open handling to limit odour release, close containers promptly after weighing, and consult the safety data sheet before first use and before any disposal of residues.

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