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CS-W001157 4
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4-Amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

  • CAS No. 36209-51-5

  • Cat. No. CS-0157395
  • Purity≥97%
  • MDL No.MFCD00274215

*For research and further manufacturing use only, not for direct human use.

4-Amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol|CS-0157395

Structure of 36209-51-5

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General Information

  • CAS No. 36209-51-5
  • Cat. No. CS-0157395
  • Purity ≥97%
  • MDL No. MFCD00274215
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇N₅S
  • Molecular Weight 193.23
  • Synonym(s) 4-Amino-5-Pyridin-4-yl-4H-[1,2,4]Triazole-3-Thiol
  • SMILES C1=C(C=CN=C1)C2=NN=C(N2N)S

Description

4-Amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol features a dual heterocyclic scaffold integrating a pyridyl group and a thiol-functionalized triazole ring. This arrangement enables strong coordination in metal-ligand systems and enhances solubility in polar solvents. The molecule serves as a key building block for bioactive compounds and functional materials.

Application

4-Amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol serves as a versatile heterocyclic building block for medicinal chemistry and catalytic system development. The molecule combines a pyridyl moiety with an amino-substituted triazole-thiol framework, enabling robust metal coordination and hydrogen-bonding interactions. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient synthesis of bioactive scaffolds and ligand architectures in drug discovery workflows.

Synthesis

  • Route1
    • null|null
      75-15-0
    • Isoniazid Topiroxostat  Impurity|CS-0229354
      54-85-3
    • ~72%
    • In-stock
      4-Amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol|CS-0157395
      36209-51-5

    References

    • Cheeseright, Timothy J.; Holm, Melanie; Lehmann, Frank; Luik, Sabine; Gottert, Marcia; Melville, James L.; Laufer, Stefan Journal of Medicinal Chemistry, 2009 , vol. 52, # 14 p. 4200 - 4209
  • Route2
    • null|null
      61019-32-7
    • ~78%
    • In-stock
      4-Amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol|CS-0157395
      36209-51-5

    References

    • Mobinikhaledi, Akbar; Foroughifar, Naser; Bayat, Mahsa Organic Preparations and Procedures International, 2011 , vol. 43, # 4 p. 368 - 371
  • Route3
    • Isoniazid Topiroxostat  Impurity|CS-0229354
      54-85-3
    • ~%
    • In-stock
      4-Amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol|CS-0157395
      36209-51-5

    References

    • Heterocycles, , vol. 68, # 9 p. 1901 - 1907

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.62
  • LogP   0.3426
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   1

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