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CS-W001157 4
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N-((5-amino-1,3,4-thiadiazol-2-yl)methyl)benzamide

  • CAS No. 81837-98-1

  • Cat. No. CS-0317151
  • Molecule weight234.28
  • Purity≥97%
  • MDL No.None

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

N-((5-amino-1,3,4-thiadiazol-2-yl)methyl)benzamide|CS-0317151

Structure of 81837-98-1

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General Information

  • CAS No. 81837-98-1
  • Cat. No. CS-0317151
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₄OS
  • Molecular Weight 234.28
  • Synonym(s) N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide
  • SMILES O=C(NCC1=NN=C(N)S1)C2=CC=CC=C2

Synthesis

  • Route1

    References

    • Epishina, Margarita A.; Kulikov, Alexander S.; Ignat'Ev, Nikolai V.; Schulte, Michael; Makhova, Nina N. Mendeleev Communications, 2011 , vol. 21, # 6 p. 331 - 333
  • Route2
    • N-(2-(2-carbamothioylhydrazinyl)-2-oxoethyl)benzamide|CS-0367614
      83530-35-2
    • ~71%
    • N-((5-amino-1,3,4-thiadiazol-2-yl)methyl)benzamide|CS-0317151
      81837-98-1

    References

    • Shah; Patel; Parikh Journal of the Indian Chemical Society, 1982 , vol. 59, # 5 p. 678 - 680
  • Route3
    • N-(2-hydrazinyl-2-oxoethyl)benzamide|CS-0314173
      2443-68-7
    • ~%
    • N-((5-amino-1,3,4-thiadiazol-2-yl)methyl)benzamide|CS-0317151
      81837-98-1

    References

    • Ohta Yakugaku Zasshi, 1952 , vol. 72, p. 1636 Chem.Abstr., 1953 , p. 9324

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   80.9
  • LogP   1.0503
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   3

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