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4-Methyl-5-(thiophen-2-yl)-4h-1,2,4-triazole-3-thiol

  • CAS No. 68744-66-1

  • Cat. No. CS-0241984
  • Purity≥97%
  • MDL No.None

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

4-Methyl-5-(thiophen-2-yl)-4h-1,2,4-triazole-3-thiol|CS-0241984

Structure of 68744-66-1

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General Information

  • CAS No. 68744-66-1
  • Cat. No. CS-0241984
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇N₃S₂
  • Molecular Weight 197.28
  • Synonym(s) 4-methyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol
  • SMILES CN1C(=NN=C1S)C2=CC=CS2

Synthesis

  • Route1

    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

    • US4900743 A1, ;
  • 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

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Computational Chemistry Data

  • TPSA   30.71
  • LogP   1.8323
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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