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CS-W001157 4
Total: USD 88.00

4-Amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol

  • CAS No. 93677-89-5

  • Cat. No. CS-0219246
  • Molecule weight261.13
  • Purity≥97%
  • MDL No.None

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

4-Amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol|CS-0219246

Structure of 93677-89-5

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General Information

  • CAS No. 93677-89-5
  • Cat. No. CS-0219246
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆Cl₂N₄S
  • Molecular Weight 261.13
  • Synonym(s) 3-(2,4-dichlorophenyl)-4-amino-5-mercapto-1,2,4-s-triazole
  • SMILES C1=CC(=C(C=C1Cl)Cl)C2=NN=C(N2N)S

Synthesis

  • Route1

    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
    • 5-(2,4-Dichlorophenyl)-1,3,4-oxadiazole-2-thiol|CS-0308218
      23288-92-8
    • ~56%
    • 4-Amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol|CS-0219246
      93677-89-5

    References

    • Khan, Mukhtar Hussain; Giri, Somari Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1995 , vol. 34, # 11 p. 1007 - 1009
  • Route3

    References

    • Journal of Heterocyclic Chemistry, , vol. 21, # 4 p. 1225 - 1229

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-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   56.73
  • LogP   2.2544
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   1

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