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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 114058-91-2

  • Cat. No. CS-0321303
  • Purity95+%
  • MDL No.None

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

3-(4-Fluorophenyl)-1H-1,2,4-triazole-5-thiol|CS-0321303

Structure of 114058-91-2

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General Information

  • CAS No. 114058-91-2
  • Cat. No. CS-0321303
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FN₃S
  • Molecular Weight 195.22
  • Synonym(s) 5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
  • SMILES C1=C(C=CC(=C1)F)C2=NNC(=N2)S

Synthesis

  • Route1
    • 2-(4-Fluorobenzoyl)hydrazine-1-carbothioamide|CS-0326328
      831-38-9
    • ~90%
    • 3-(4-Fluorophenyl)-1H-1,2,4-triazole-5-thiol|CS-0321303
      114058-91-2

    References

    • Murty; Ram, Kesur R.; Rao, Rayudu Venkateswara; Yadav; Rao, Janapala Venkateswara; Pamanji; Velatooru Letters in Drug Design and Discovery, 2012 , vol. 9, # 3 p. 276 - 281
  • Route2

    References

    • Farmaco, , vol. 52, # 11 p. 691 - 695
  • Route3

    References

    • Farmaco, , vol. 52, # 11 p. 691 - 695

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   1.8995
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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