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CS-W001157 4
Total: USD 88.00

3,5-Bis(methylthio)isothiazole-4-carbonitrile

  • CAS No. 4886-13-9

  • Cat. No. CS-0312991
  • Purity≥97%
  • MDL No.None

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

3,5-Bis(methylthio)isothiazole-4-carbonitrile|CS-0312991

Structure of 4886-13-9

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General Information

  • CAS No. 4886-13-9
  • Cat. No. CS-0312991
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂S₃
  • Molecular Weight 202.32
  • Synonym(s) 3,5-bis-methylsulfanyl-isothiazole-4-carbonitrile
  • SMILES CSC1=NSC(=C1C#N)SC

Synthesis

  • Route1
    • null|null
      2076-67-7
    • null|null
      74-88-4
    • ~%
    • 3,5-Bis(methylthio)isothiazole-4-carbonitrile|CS-0312991
      4886-13-9

    References

    • Hoyer,G.A.; Kless,M. Tetrahedron Letters, 1969 , p. 4265 - 4268
  • Route2
    • null|null
      3889-65-4
    • null|null
      74-88-4
    • ~%
    • 3,5-Bis(methylthio)isothiazole-4-carbonitrile|CS-0312991
      4886-13-9

    References

    • Hatchard,W.R. Journal of Organic Chemistry, 1964 , vol. 29, p. 660 - 665
  • Route3
    • Dichloro-1,2-thiazole-4-carbonitrile|CS-0216399
      2120-82-3
    • null|null
      74-88-4
    • ~%
    • 3,5-Bis(methylthio)isothiazole-4-carbonitrile|CS-0312991
      4886-13-9

    References

    • Hatchard,W.R. Journal of Organic Chemistry, 1964 , vol. 29, p. 660 - 665

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.45858
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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