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CS-W001157 4
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5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide

  • CAS No. 29527-27-3

  • Cat. No. CS-0116559
  • Molecule weight225.70
  • Purity≥97%
  • MDL No.None

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

5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide|CS-0116559

Structure of 29527-27-3

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General Information

  • CAS No. 29527-27-3
  • Cat. No. CS-0116559
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈ClN₃S
  • Molecular Weight 225.70
  • Synonym(s) 5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
  • SMILES CN1C(S)=NN=C1C2=CC=C(Cl)C=C2

Synthesis

  • Route1
    • 2-(4-Chlorobenzoyl)-N-methylhydrazine-1-carbothioamide|CS-0320534
      29527-10-4
    • ~30%
    • 5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide|CS-0116559
      29527-27-3

    References

    • Kane; Staeger; Dalton; Miller; Dudley; Ogden; Kehne; Ketteler; McCloskey; Senyah; Chmielewski Journal of Medicinal Chemistry, 1994 , vol. 37, # 1 p. 125 - 132
  • Route2
    • null|null
      122-01-0
    • ~%
    • 5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide|CS-0116559
      29527-27-3

    References

    • Journal of Medicinal Chemistry, , vol. 31, # 6 p. 1253 - 1258
  • Route3

    References

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

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

Quality Control

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Computational Chemistry Data

  • TPSA   30.71
  • LogP   2.4242
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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