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CS-W001157 4
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5-Methyl-1,3,4-oxadiazole-2(3H)-thione

  • CAS No. 31130-17-3

  • Cat. No. CS-0061408
  • Purity≥98%
  • MDL No.MFCD03161246

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

5-Methyl-1,3,4-oxadiazole-2(3H)-thione|CS-0061408

Structure of 31130-17-3

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General Information

  • CAS No. 31130-17-3
  • Cat. No. CS-0061408
  • Purity ≥98%
  • MDL No. MFCD03161246
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₄N₂OS
  • Molecular Weight 116.14
  • Synonym(s) 5-Methyl-1,3,4-oxadiazole-2-thiol
  • SMILES S=C1OC(C)=NN1

Description

5-Methyl-1,3,4-oxadiazole-2(3H)-thione features a unique heterocyclic scaffold combining oxadiazole and thione functionalities, offering enhanced stability and polarity. This bench-stable compound integrates readily into synthetic routes requiring electron-deficient heterocycles, enabling efficient access to bioactive molecules in medicinal chemistry and materials science applications.

Application

5-Methyl-1,3,4-oxadiazole-2(3H)-thione serves as a versatile heterocyclic building block in medicinal chemistry and materials science. Its thione functionality enables reliable participation in nucleophilic substitution and metal-catalyzed coupling reactions. The molecule exhibits bench stability, facilitates straightforward purification, and demonstrates compatibility with diverse functional groups, making it well-suited for the construction of bioactive scaffolds and advanced synthetic intermediates.

Synthesis

  • Route1
    • null|null
      75-15-0
    • In-stock
      Acethydrazide|CS-D1403
      1068-57-1
    • ~%
    • In-stock
      5-Methyl-1,3,4-oxadiazole-2(3H)-thione|CS-0061408
      31130-17-3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 6, # 22 p. 2693 - 2698
  • Route2

    References

    • US5705516 A1, ;
  • Route3
    • Cefazolin Impurity 17|CS-0914698
      38509-92-1
    • ~64%
    • In-stock
      5-Methyl-1,3,4-oxadiazole-2(3H)-thione|CS-0061408
      31130-17-3

    References

    • Yoshida, Yoshiki; Matsuda, Keiji; Sasaki, Hiroshi; Matsumoto, Yoshimi; Matsumoto, Satoru; Tawara, Shuichi; Takasugi, Hisashi Bioorganic and Medicinal Chemistry, 2000 , vol. 8, # 9 p. 2317 - 2335

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   41.82
  • LogP   1.04061
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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