3-Amino-1,2,4-triazole-5-thiol - ≥98% , CAS No.16691-43-3

CAS: 16691-43-3 Cat. No.: A107449 Molecular Weight: 116.14 Beilstein Registry Number: 112404 EC Number: 240-735-6

GRADE & PURITY ≥98%

Synonyms

1,2-Triazolidine-3-thione, 5-imino- | 5-amino-1H-1,2,4-triazole-3-thiol | UNII-353F2D8L1Z | 3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro- | 3-Amino-5-mercapto-[1,2,4]TRIAZOLE | NSC145149 | NSC-145149 | AMY25588 | 3-Amino-1,2,4-triazole-5-thiol, 95% | 3

Storage

Room temperature

Shipped In

Normal

Overview

3-Amino-1,2,4-triazole-5-thiol inhibits corrosion of copper in aerated acidic chloride pickling solution

Specifications

Synonyms

1, 2-Triazolidine-3-thione, 5-imino- | 5-amino-1H-1, 2, 4-triazole-3-thiol | UNII-353F2D8L1Z | 3H-1, 2, 4-Triazole-3-thione, 5-amino-1, 2-dihydro- | 3-Amino-5-mercapto-[1, 2, 4]TRIAZOLE | NSC145149 | NSC-145149 | AMY25588 | 3-Amino-1, 2, 4-triazole-5-thiol, 95% | 3

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192211
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192211
• Canonical Smiles: C1(=NC(=S)NN1)N
• IUPAC Name: 5-amino-1,2-dihydro-1,2,4-triazole-3-thione
• InChIKey: WZUUZPAYWFIBDF-UHFFFAOYSA-N
• INCHI: 1S/C2H4N4S/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)
• Isomeric SMILES: C1(=NC(=S)NN1)N
• WGK Germany: 3
• RTECS: XZ5357500
• Molecular Weight: 116.14
• Beilstein: 112404
• Reaxy-Rn: 112404
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112404&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazoles
• Alternative Parents: Triazolines Heteroaromatic compounds Azacyclic compounds Primary amines Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triazoline - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility in hot Water almost transparency
• Melt Point(°C): >300°C
• Molecular Weight: 116.150 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.016 Da
• Monoisotopic Mass: 116.016 Da
• Topological Polar Surface Area: 94.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 128.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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2. Likang Fu, Libo Zhang, Shixing Wang, Jinhui Peng, Gengwei Zhang.  (2017)  Selective adsorption of Ag+ by silica nanoparticles modified with 3-Amino-5-mercapto-1,2,4-triazole from aqueous solutions.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2017.06.028]

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6. Haojie Wang, Ziyun Chen, Lingzhi Wang, Qingyun Zhao, Birong Zeng, Yiting Xu, Guorong Chen, Weiang Luo, Conghui Yuan, Lizong Dai.  (2025)  α-Zirconium Phosphate Hybrid Intercalated by Carbon Dots with High Anticorrosion Efficiency for Waterborne Epoxy Resin Composite Coating.  ACS Applied Materials & Interfaces,      [PMID:40063785] [10.1021/acsami.4c21763]