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CS-W001157 4
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4-Amino-5-(3-methylphenyl)-4h-1,2,4-triazole-3-thiol

  • CAS No. 105576-60-1

  • Cat. No. CS-0222298
  • Molecule weight206.27
  • Purity≥97%
  • MDL No.None

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

4-Amino-5-(3-methylphenyl)-4h-1,2,4-triazole-3-thiol|CS-0222298

Structure of 105576-60-1

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General Information

  • CAS No. 105576-60-1
  • Cat. No. CS-0222298
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₄S
  • Molecular Weight 206.27
  • Synonym(s) AG-690/12885164
  • SMILES CC1=CC(=CC=C1)C2=NN=C(N2N)S

Synthesis

  • Route1
    • null|null
      85103-40-8
    • ~81%
    • 4-Amino-5-(3-methylphenyl)-4h-1,2,4-triazole-3-thiol|CS-0222298
      105576-60-1

    References

    • Chhabria, Mahesh T.; Suhagia, Bhanubhai N.; Brahmkshatriya, Pathik S.; Raval, Priyesha M. Arzneimittel-Forschung/Drug Research, 2011 , vol. 61, # 8 p. 452 - 457
  • Route2

    References

    • Mohan, Jag; Anjaneyulu, G. S. R.; Kiran Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1988 , vol. 27, # 1-12 p. 128 - 131
  • Route3
    • 5-(3-Methylphenyl)-1,3,4-oxadiazole-2-thiol|CS-0071449
      66147-19-1
    • ~67%
    • 4-Amino-5-(3-methylphenyl)-4h-1,2,4-triazole-3-thiol|CS-0222298
      105576-60-1

    References

    • Joshi; Karnik Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006 , vol. 45, # 4 p. 1057 - 1059

Safety Information

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GHS Pictogram : N/A
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UN#: 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   56.73
  • LogP   1.25602
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   1

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