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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 3414-94-6

  • Cat. No. CS-0309170
  • Molecule weight177.23
  • Purity95+%
  • MDL No.None

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

5-Phenyl-1H-1,2,4-triazole-3-thiol|CS-0309170

Structure of 3414-94-6

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General Information

  • CAS No. 3414-94-6
  • Cat. No. CS-0309170
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇N₃S
  • Molecular Weight 177.23
  • Synonym(s) 3-Phenyl-1,2,4-triazole-5-thiol hydrate
  • SMILES C1=CC=C(C=C1)C2=NC(=NN2)S

Synthesis

  • Route1
    • 2-Benzoylhydrazine-1-carbothioamide|CS-0315859
      5351-66-6
    • ~90%
    • 5-Phenyl-1H-1,2,4-triazole-3-thiol|CS-0309170
      3414-94-6

    References

    • Wang; Shi Synthetic Communications, 2001 , vol. 31, # 18 p. 2841 - 2848
  • Route2

    References

    • Singh, Harjit; Sarin, Rakesh Tetrahedron, 1986 , vol. 42, # 5 p. 1449 - 1460
  • Route3
    • null|null
      58553-12-1
    • ~87%
    • 5-Phenyl-1H-1,2,4-triazole-3-thiol|CS-0309170
      3414-94-6

    References

    • Heydenhauss, Dietrich; Jaenecke, Guenter; Feuerstein, Bernd Zeitschrift fuer Chemie (Stuttgart, Germany), 1981 , vol. 21, # 1 p. 31 - 32

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+P364-P405-P501

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   1.7604
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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