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CS-W001157 4
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4-Amino-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol

  • CAS No. 61019-25-8

  • Cat. No. CS-0454147
  • Molecule weight210.23
  • Purity≥98%
  • MDL No.None

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

4-Amino-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol|CS-0454147

Structure of 61019-25-8

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General Information

  • CAS No. 61019-25-8
  • Cat. No. CS-0454147
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FN₄S
  • Molecular Weight 210.23
  • Synonym(s) 4-amino-5-(4-fluorophenyl)-2H-1,2,4-triazole-3-thione
  • SMILES C1=C(C=CC(=C1)F)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
    • null|null
      3926-62-3
    • null|null
      736084-51-8
    • ~%
    • 4-Amino-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol|CS-0454147
      61019-25-8

    References

    • Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, , vol. 79, # 5 p. 1837 - 1842
  • Route3
    • null|null
      736084-51-8
    • ~36%
    • 4-Amino-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol|CS-0454147
      61019-25-8

    References

    • Nadkarni; Kamat; Khadse Arzneimittel-Forschung/Drug Research, 2001 , vol. 51, # 7 p. 569 - 573

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   56.73
  • LogP   1.0867
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   1

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