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CS-W001157 4
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2-Chlorobenzothiazole-6-carbonitrile

  • CAS No. 80945-83-1

  • Cat. No. CS-W019853
  • Purity≥95%
  • MDL No.MFCD09743933

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

2-Chlorobenzothiazole-6-carbonitrile|CS-W019853

Structure of 80945-83-1

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General Information

  • CAS No. 80945-83-1
  • Cat. No. CS-W019853
  • Purity ≥95%
  • MDL No. MFCD09743933
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃ClN₂S
  • Molecular Weight 194.64
  • Synonym(s) 2-Chlorobenzo[d]thiazole-6-carbonitrile
  • SMILES N#CC1=CC=C2N=C(Cl)SC2=C1

Synthesis

  • Route1

    References

    • NOVO NORDISK A/S Patent: WO2007/110364 A1, 2007 ; Location in patent: Page/Page column 38 ; WO 2007/110364 A1
  • Route2
    • 4-Amino-3-mercaptobenzonitrile|CS-0725616
      174658-22-1
    • ~%
    • In-stock
      2-Chlorobenzothiazole-6-carbonitrile|CS-W019853
      80945-83-1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 17 p. 5392 - 5395

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.82138
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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