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CS-W001157 4
Total: USD 88.00

5-Isobutyl-[1,3,4]thiadiazol-2-ylamine

  • CAS No. 52057-89-3

  • Cat. No. CS-0072027
  • Molecule weight157.24
  • Purity≥97%
  • MDL No.MFCD01043751

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

5-Isobutyl-[1,3,4]thiadiazol-2-ylamine|CS-0072027

Structure of 52057-89-3

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General Information

  • CAS No. 52057-89-3
  • Cat. No. CS-0072027
  • Purity ≥97%
  • MDL No. MFCD01043751
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁N₃S
  • Molecular Weight 157.24
  • Synonym(s) 2-Amino-5-isobutyl-1,3,4-thiadiazol
  • SMILES NC1=NN=C(CC(C)C)S1

Synthesis

  • Route1
    • In-stock
      Thiosemicarbazide|CS-0008325
      79-19-6
    • null|null
      108-12-3
    • ~27%
    • 5-Isobutyl-[1,3,4]thiadiazol-2-ylamine|CS-0072027
      52057-89-3
    • null|null
      331819-06-8

    References

    • Pryde, David C.; Maw, Graham N.; Planken, Simon; Platts, Michelle Y.; Sanderson, Vivienne; Corless, Martin; Stobie, Alan; Barber, Christopher G.; Russell, Rachel; Foster, Laura; Barker, Laura; Wayman, Christopher; Van Der Graaf, Piet; Stacey, Peter; Morren, Debbie; Kohl, Christopher; Beaumont, Kevin; Coggon, Sara; Tute, Michael Journal of Medicinal Chemistry, 2006 , vol. 49, # 14 p. 4409 - 4424
  • Route2
    • null|null
      331819-06-8
    • ~%
    • 5-Isobutyl-[1,3,4]thiadiazol-2-ylamine|CS-0072027
      52057-89-3

    References

    • Wojahn; Wuckel Archiv der Pharmazie (Weinheim, Germany), 1951 , vol. 284, p. 53,57
  • Route3

    References

    • Gagiu,F.; Mavrodin,A. Bulletin de la Societe Chimique de France, 1967 , p. 1010 - 1012

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H226-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P362+P364-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   51.8
  • LogP   1.3188
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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