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CS-W001157 4
Total: USD 88.00

4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol

  • CAS No. 26029-01-6

  • Cat. No. CS-0116549
  • Purity≥95%
  • MDL No.None

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

4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol|CS-0116549

Structure of 26029-01-6

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General Information

  • CAS No. 26029-01-6
  • Cat. No. CS-0116549
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₄S
  • Molecular Weight 206.27
  • Synonym(s) 4-Ethyl-5-pyridin-4-yl-4h-[1,2,4]triazole-3-thiol
  • SMILES SC1=NN=C(C2=CC=NC=C2)N1CC

Synthesis

  • Route1

    References

    • WO2004/89367 A1, ; Page/Page column 49-50 ;
  • Route2
    • Isoniazid Topiroxostat  Impurity|CS-0229354
      54-85-3
    • null|null
      542-85-8
    • ~%
    • 4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol|CS-0116549
      26029-01-6

    References

    • WO2012/154403 A2, ; Page/Page column 255 ; WO 2012/154403 A2
  • Route3
    • null|null
      26036-34-0
    • ~92%
    • 4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol|CS-0116549
      26029-01-6

    References

    • Sung; Lee Journal of Heterocyclic Chemistry, 1992 , vol. 29, # 5 p. 1101 - 1109

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.6
  • LogP   1.6487
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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