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CS-W001157 4
Total: USD 88.00

4-Methyl-5-(3-pyridinyl)-4h-1,2,4-triazole-3-thiol

  • CAS No. 3652-31-1

  • Cat. No. CS-0116843
  • Purity95+%
  • MDL No.None

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

4-Methyl-5-(3-pyridinyl)-4h-1,2,4-triazole-3-thiol|CS-0116843

Structure of 3652-31-1

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General Information

  • CAS No. 3652-31-1
  • Cat. No. CS-0116843
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₄S
  • Molecular Weight 192.24
  • Synonym(s) 4-Methyl-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
  • SMILES SC1=NN=C(C2=CC=CN=C2)N1C

Synthesis

  • Route1

    References

    • ASTRAZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2005/80356 A1, 2005 ; Location in patent: Page/Page column 92-93 ; WO 2005/080356 A1
  • Route2
    • N-methyl-2-nicotinoylhydrazine-1-carbothioamide|CS-0317947
      3683-36-1
    • ~%
    • 4-Methyl-5-(3-pyridinyl)-4h-1,2,4-triazole-3-thiol|CS-0116843
      3652-31-1

    References

    • WO2005/80379 A1, ; Page/Page column 39 ; WO 2005/080379 A1

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.6
  • LogP   1.1658
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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