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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 29552-52-1

  • Cat. No. CS-0308192
  • Molecule weight223.27
  • Purity95+%
  • MDL No.None

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

4-Ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol|CS-0308192

Structure of 29552-52-1

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General Information

  • CAS No. 29552-52-1
  • Cat. No. CS-0308192
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀FN₃S
  • Molecular Weight 223.27
  • Synonym(s) Albb-003259
  • SMILES CCN1C(=NN=C1S)C2=CC=C(C=C2)F

Synthesis

  • Route1
    • null|null
      29527-12-6
    • ~88%
    • 4-Ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol|CS-0308192
      29552-52-1

    References

    • Gulerman; Rollas Farmaco, 1997 , vol. 52, # 11 p. 691 - 695
  • Route2

    References

    • Farmaco, , vol. 52, # 11 p. 691 - 695
  • Route3
    • Phenyl 4-fluorobenzoate|CS-1202988
      2714-90-1
    • ~%
    • 4-Ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol|CS-0308192
      29552-52-1

    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   30.71
  • LogP   2.3928
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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