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

  • CAS No. 138417-35-3

  • Cat. No. CS-0151208
  • Molecule weight209.24
  • Purity≥95%
  • MDL No.MFCD01940414

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

5-(4-Fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol|CS-0151208

Structure of 138417-35-3

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General Information

  • CAS No. 138417-35-3
  • Cat. No. CS-0151208
  • Purity ≥95%
  • MDL No. MFCD01940414
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈FN₃S
  • Molecular Weight 209.24
  • Synonym(s) Albb-003258
  • SMILES CN1C(=NN=C1S)C2=CC=C(C=C2)F

Synthesis

  • Route1
    • null|null
      154106-08-8
    • ~69%
    • 5-(4-Fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol|CS-0151208
      138417-35-3

    References

    • Kane; Staeger; Dalton; Miller; Dudley; Ogden; Kehne; Ketteler; McCloskey; Senyah; Chmielewski Journal of Medicinal Chemistry, 1994 , vol. 37, # 1 p. 125 - 132
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 37, # 1 p. 125 - 132
  • Route3

    References

    • European Journal of Medicinal Chemistry, , vol. 31, # 4 p. 301 - 309

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08,GHS09
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H312-H330-H361-H370-H372-H410
Precautionary Statements : P260-P264-P270-P271-P273-P280-P284-P302+P352-P304+P340-P330-P362+P364-P391-P405-P501

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Computational Chemistry Data

  • TPSA   30.71
  • LogP   1.9099
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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