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CS-W001157 4
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Benzo[d]thiazole-5-carbonitrile

  • CAS No. 58249-57-3

  • Cat. No. CS-0188380
  • Molecule weight160.20
  • Purity≥96%
  • MDL No.None

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

Benzo[d]thiazole-5-carbonitrile|CS-0188380

Structure of 58249-57-3

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General Information

  • CAS No. 58249-57-3
  • Cat. No. CS-0188380
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄N₂S
  • Molecular Weight 160.20
  • Synonym(s) 5-Benzothiazolecarbonitrile
  • SMILES C1=CC2=C(C=C1C#N)N=CS2

Synthesis

  • Route1

    References

    • WO2013/66729 A1, ; Page/Page column 232; 233 ; WO 2013/066729 A1
  • Route2
    • null|null
      107-13-1
    • null|null
      206662-96-6
    • ~%
    • 1,3-benzothiazole-6-carbonitrile|CS-0071759
      58249-61-9
    • Benzo[d]thiazole-5-carbonitrile|CS-0188380
      58249-57-3

    References

    • European Journal of Organic Chemistry, , # 9 p. 2047 - 2050
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 41, # 8 p. 1328 - 1331

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.16798
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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