1H-1,2,4-Triazole-3-thiol

Basic Information

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CAS Number

3179-31-5

Molecular Formula

C2H3N3S

Molecular Weight

101.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

218.0 to 223.0 deg-C

Boiling Point

162.8ºC at 760 mmHg

Water Solubility

Soluble in hot water.

Flash Point

52.3ºC

Solubility

H2O: soluble50g/L

Refractive Index

1.5800 (estimate)

SMILES

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Sc1nnc[nH]1

InChI

InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)

InChIKey

AFBBKYQYNPNMAT-UHFFFAOYSA-N

LogP

0.09339999999999998

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

Safety Information

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GHS Hazard Pictograms

H302

H319

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

1H-1,2,4-Triazole-3-thiol
3-Mercapto-1H-1,2,4-triazole
3-mercapto-1,2,4-triazole*photographic grade
1,2,4-triazole-3-thiol
3-Mercapto-1,2,4-triazole
1,2-Dihydro-3H-1,2,4-triazole-3-thione
3-thiol-1H-1,2,4-triazole
3-sulfhydryl 1,2, 4-triazole
2,4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE
3-Thio-1H-1,2,4-triazole
1,2,4-SODIUM TRIAZOLE
1,2,4-Triazol-3-thiol
3-mercapto-1,2,4-1H-triazole
3-Mercapto-1,2,4-tri
MERCAPTOTRIAZOL
mercaptotriazole
MTZ
S-TRIAZOLE-3-THIOL
1,2,4-Triazole-3(5)-thiol
1,2,4-Triazole-3-thiol

MDL Number

MFCD00005229

Customs Code

29339990

FAQ

What is 1H-1,2,4-Triazole-3-thiol (CAS: 3179-31-5)?

1H-1,2,4-Triazole-3-thiol (CAS: 3179-31-5) is a heterocyclic organic compound containing a triazole ring functionalized with a thiol group. Its chemical formula is C2H3N3S, and it is characterized by its sulfur-containing functionality, which imparts reactivity in chemical synthesis. It is commonly used as a building block in pharmaceutical and medicinal chemistry due to its versatile structure and biological activity.

What are the main uses of 1H-1,2,4-Triazole-3-thiol (CAS: 3179-31-5)?

1H-1,2,4-Triazole-3-thiol (CAS: 3179-31-5) is primarily utilized in pharmaceuticals for developing antifungal and antiviral agents. It also finds applications in industrial chemical synthesis, dye production, and research for creating bioactive molecules. Its thiol group makes it a valuable intermediate in drug design and functional group modification processes.

Is 1H-1,2,4-Triazole-3-thiol (CAS: 3179-31-5) safe?

1H-1,2,4-Triazole-3-thiol (CAS: 3179-31-5) requires careful handling due to potential mild toxicity. It may cause skin and eye irritation, so protective gloves, goggles, and ventilation are recommended. Safety standards advise following OSHA guidelines for exposure limits and proper disposal. Always refer to the SDS for specific handling precautions.

How should 1H-1,2,4-Triazole-3-thiol (CAS: 3179-31-5) be stored?

1H-1,2,4-Triazole-3-thiol (CAS: 3179-31-5) should be stored in a cool, dry place, sealed in a dark container to prevent light exposure. Maintain storage temperature between 2-8°C and avoid humidity to ensure stability. Keep away from incompatible substances and store in a well-ventilated area to minimize risks associated with its chemical reactivity.