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CS-W001157 4
Total: USD 88.00

4-Cyano-3-hydroxy-5-methylthioisothiazole

  • CAS No. 4886-02-6

  • Cat. No. CS-0033787
  • Purity≥98%
  • MDL No.None

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

4-Cyano-3-hydroxy-5-methylthioisothiazole|CS-0033787

Structure of 4886-02-6

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General Information

  • CAS No. 4886-02-6
  • Cat. No. CS-0033787
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄N₂OS₂
  • Molecular Weight 172.23
  • Synonym(s) 3-Hydroxy-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
  • SMILES N#CC1=C(SC)SNC1=O

Synthesis

  • Route1
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      4885-93-2
    • null|null
      74-88-4
    • ~%
    • 4-Cyano-3-hydroxy-5-methylthioisothiazole|CS-0033787
      4886-02-6

    References

    • Varaprasad, Chamakura V.N.S.; Barawkar, Dinesh; Abdellaoui, Hassan El; Chakravarty, Subrata; Allan, Matthew; Chen, Huanming; Zhang, Weijian; Wu, Jim Z.; Tam, Robert; Hamatake, Robert; Lang, Stanley; Hong, Zhi Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 15 p. 3975 - 3980

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.65
  • LogP   1.02998
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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