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CS-W001157 4
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5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol

  • CAS No. 3690-46-8

  • Cat. No. CS-0156818
  • Purity≥95%
  • MDL No.MFCD00139080

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

5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol|CS-0156818

Structure of 3690-46-8

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General Information

  • CAS No. 3690-46-8
  • Cat. No. CS-0156818
  • Purity ≥95%
  • MDL No. MFCD00139080
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅N₃OS
  • Molecular Weight 179.20
  • Synonym(s) 5-pyridin-3-yl-3H-1,3,4-oxadiazole-2-thione
  • SMILES C1=CC(=CN=C1)C2=NN=C(O2)S

Synthesis

  • Route1

    References

    • Ahmad, Roshan; Iqbal, Rashid; Akhtar, Humaira; Duddeck, Helmut; Stefaniak, Lech; Sitkowski, Jerzy Nucleosides, Nucleotides and Nucleic Acids, 2001 , vol. 20, # 9 p. 1671 - 1682
  • Route2

    References

    • Ciba-Geigy Corporation Patent: US4894380 A1, 1990 ;
  • Route3

    References

    • Buha, Vipul M.; Rana, Dharmaraj N.; Chhabria, Mahesh T.; Chikhalia, Kishor H.; Mahajan, Bhushan M.; Brahmkshatriya, Pathik S.; Shah, Nisha K. Medicinal Chemistry Research, 2013 , vol. 22, # 9 p. 4096 - 4109

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   51.81
  • LogP   1.4203
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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