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3-Methylisothiazole-5-carbonitrile

  • CAS No. 57352-00-8

  • Cat. No. CS-0317614
  • Purity≥97%
  • MDL No.None

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

3-Methylisothiazole-5-carbonitrile|CS-0317614

Structure of 57352-00-8

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General Information

  • CAS No. 57352-00-8
  • Cat. No. CS-0317614
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄N₂S
  • Molecular Weight 124.16
  • Synonym(s) None
  • SMILES N#CC1=CC(C)=NS1

Synthesis

  • Route1

    References

    • Adams; Slack Journal of the Chemical Society, 1959 , p. 3061,3065

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302+H312+H332-H315-H319-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   36.68
  • LogP   1.3232
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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