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CS-W001157 4
Total: USD 88.00

4,5-Diphenyl-4H-1,2,4-triazole-3-thiol

  • CAS No. 6596-82-3

  • Cat. No. CS-0116543
  • Purity95+%
  • MDL No.None

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

4,5-Diphenyl-4H-1,2,4-triazole-3-thiol|CS-0116543

Structure of 6596-82-3

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General Information

  • CAS No. 6596-82-3
  • Cat. No. CS-0116543
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁N₃S
  • Molecular Weight 253.32
  • Synonym(s) None
  • SMILES SC1=NN=C(C2=CC=CC=C2)N1C3=CC=CC=C3

Synthesis

  • Route1
    • 2-Benzoyl-N-phenylhydrazine-1-carbothioamide|CS-0324558
      13153-01-0
    • ~90%
    • 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol|CS-0116543
      6596-82-3

    References

    • Golovlyova; Moskvichev; Alov; Kobylinsky; Ermolaeva Chemistry of Heterocyclic Compounds, 2001 , vol. 37, # 9 p. 1102 - 1106
  • Route2
    • Benzohydrazide Azelastine Impurity|CS-0229712
      613-94-5
    • ~%
    • 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol|CS-0116543
      6596-82-3

    References

    • Phosphorus, Sulfur and Silicon and the Related Elements, , vol. 180, # 2 p. 537 - 543
  • Route3
    • null|null
      103-72-0
    • Benzohydrazide Azelastine Impurity|CS-0229712
      613-94-5
    • ~87%
    • 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol|CS-0116543
      6596-82-3

    References

    • Rostamizadeh, Shahnaz; Mollahoseini, Kambiz; Moghadasi, Samar Phosphorus, Sulfur and Silicon and the Related Elements, 2006 , vol. 181, # 8 p. 1839 - 1845

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   30.71
  • LogP   3.223
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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