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Ethyl 3-oxobenzo[d]isothiazole-2(3H)-carboxylate 1,1-dioxide

  • CAS No. 6971-09-1

  • Cat. No. CS-0545407
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-oxobenzo[d]isothiazole-2(3H)-carboxylate 1,1-dioxide|CS-0545407

Structure of 6971-09-1

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General Information

  • CAS No. 6971-09-1
  • Cat. No. CS-0545407
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₅S
  • Molecular Weight 255.25
  • Synonym(s) Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide
  • SMILES CCOC(=O)N1C(=O)C2=CC=CC=C2S1(=O)=O

Synthesis

  • Route1

    References

    • KUMIAI CHEMICAL INDUSTRY CO., LTD.; IHARA CHEMICAL INDUSTRY CO., LTD. Patent: EP1658771 A1, 2006 ; Location in patent: Page/Page column 28 ;
  • Route2

    References

    • Mehta,S.J.; Hamor,G.H. Journal of Pharmaceutical Sciences, 1961 , vol. 50, p. 672 - 675
  • Route3
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    • Ethyl 3-oxobenzo[d]isothiazole-2(3H)-carboxylate 1,1-dioxide|CS-0545407
      6971-09-1

    References

    • Eckenroth; Koerppen Chemische Berichte, 1897 , vol. 30, p. 1268

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   80.75
  • LogP   0.9876
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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