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CS-W001157 4
Total: USD 88.00

Isothiazole-4-carbonitrile

  • CAS No. 3912-37-6

  • Cat. No. CS-0044096
  • Purity≥95%
  • MDL No.MFCD00046084

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

Isothiazole-4-carbonitrile|CS-0044096

Structure of 3912-37-6

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General Information

  • CAS No. 3912-37-6
  • Cat. No. CS-0044096
  • Purity ≥95%
  • MDL No. MFCD00046084
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂N₂S
  • Molecular Weight 110.14
  • Synonym(s) 4-Isothiazolecarbonitrile
  • SMILES N#CC1=CSN=C1

Synthesis

  • Route1
    • null|null
      126-98-7
    • ~78%
    • In-stock
      Isothiazole-4-carbonitrile|CS-0044096
      3912-37-6

    References

    • Apblett, Allen; Chivers, Tristram Journal of the Chemical Society, Chemical Communications, 1987 , p. 1889 - 1890
  • Route2
    • In-stock
      4-Bromoisothiazole|CS-0012647
      24340-77-0
    • null|null
      143-33-9
    • null|null
      544-92-3
    • ~%
    • In-stock
      Isothiazole-4-carbonitrile|CS-0044096
      3912-37-6

    References

    • Raap,R.; Micetich,R.G. Journal of Medicinal Chemistry, 1968 , vol. 11, # 1 p. 70 - 73

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H228-H301-H315-H319-H335
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.01478
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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