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CS-W001157 4
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5-(2-Chlorophenyl)-4-methyl-4h-1,2,4-triazole-3-thiol

  • CAS No. 80590-50-7

  • Cat. No. CS-0221536
  • Molecule weight225.70
  • Purity95+%
  • MDL No.None

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

5-(2-Chlorophenyl)-4-methyl-4h-1,2,4-triazole-3-thiol|CS-0221536

Structure of 80590-50-7

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General Information

  • CAS No. 80590-50-7
  • Cat. No. CS-0221536
  • Purity 95+%
  • 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) Albb-003241
  • SMILES CN1C(=NN=C1S)C2=CC=CC=C2Cl

Synthesis

  • Route1
    • null|null
      154106-05-5
    • ~74%
    • 5-(2-Chlorophenyl)-4-methyl-4h-1,2,4-triazole-3-thiol|CS-0221536
      80590-50-7

    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

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

Safety Information

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GHS Pictogram : N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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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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