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CS-W001157 4
Total: USD 88.00

5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol

  • CAS No. 21358-13-4

  • Cat. No. CS-0308189
  • Molecule weight283.35
  • Purity≥98%
  • MDL No.None

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

5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol|CS-0308189

Structure of 21358-13-4

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General Information

  • CAS No. 21358-13-4
  • Cat. No. CS-0308189
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₃N₃OS
  • Molecular Weight 283.35
  • Synonym(s) 5-Phenoxymethyl-4-phenyl-4H-[1,2,4]triazole-3-thiol
  • SMILES C1=CC=C(C=C1)N2C(=NN=C2S)COC3=CC=CC=C3

Synthesis

  • Route1
    • null|null
      18233-67-5
    • ~94%
    • In-stock
      5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol|CS-0308189
      21358-13-4

    References

    • Kochikyan; Samvelyan; Arutyunyan; Avetisyan; Tamazyan; Aivazyan Russian Journal of Organic Chemistry, 2010 , vol. 46, # 4 p. 551 - 555
  • Route2

    References

    • Polucci, Paolo; Magnaghi, Paola; Angiolini, Mauro; Asa, Daniela; Avanzi, Nilla; Badari, Alessandra; Bertrand, Jay; Casale, Elena; Cauteruccio, Silvia; Cirla, Alessandra; Cozzi, Liviana; Galvani, Arturo; Jackson, Peter K.; Liu, Yichin; Magnuson, Steven; Malgesini, Beatrice; Nuvoloni, Stefano; Orrenius, Christian; Sirtori, Federico Riccardi; Riceputi, Laura; Rizzi, Simona; Trucchi, Beatrice; O'Brien, Tom; Isacchi, Antonella; Donati, Daniele; D'Alessio, Roberto Journal of Medicinal Chemistry, 2013 , vol. 56, # 2 p. 437 - 450
  • Route3
    • null|null
      103-72-0
    • ~%
    • In-stock
      5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol|CS-0308189
      21358-13-4

    References

    • Polucci, Paolo; Magnaghi, Paola; Angiolini, Mauro; Asa, Daniela; Avanzi, Nilla; Badari, Alessandra; Bertrand, Jay; Casale, Elena; Cauteruccio, Silvia; Cirla, Alessandra; Cozzi, Liviana; Galvani, Arturo; Jackson, Peter K.; Liu, Yichin; Magnuson, Steven; Malgesini, Beatrice; Nuvoloni, Stefano; Orrenius, Christian; Sirtori, Federico Riccardi; Riceputi, Laura; Rizzi, Simona; Trucchi, Beatrice; O'Brien, Tom; Isacchi, Antonella; Donati, Daniele; D'Alessio, Roberto Journal of Medicinal Chemistry, 2013 , vol. 56, # 2 p. 437 - 450

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H318-H410
Precautionary Statements : P264-P270-P273-P280-P330-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.94
  • LogP   3.135
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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