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CS-W001157 4
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3-(1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanoic acid

  • CAS No. 83747-21-1

  • Cat. No. CS-0070923
  • Purity≥97%
  • MDL No.MFCD00758127

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

3-(1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanoic acid|CS-0070923

Structure of 83747-21-1

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General Information

  • CAS No. 83747-21-1
  • Cat. No. CS-0070923
  • Purity ≥97%
  • MDL No. MFCD00758127
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₅S
  • Molecular Weight 255.25
  • Synonym(s) 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanoic acid
  • SMILES O=S1(N(CCC(O)=O)C(C2=C1C=CC=C2)=O)=O

Synthesis

  • Route1
    • null|null
      83747-24-4
    • ~83%
    • 3-(1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanoic acid|CS-0070923
      83747-21-1

    References

    • Da Settimo; Primofiore; La Motta; Simorini; Boldrini; Bianchini Farmaco, 1996 , vol. 51, # 4 p. 261 - 267
  • Route2

    References

    • Chapman Jr.; Cocolas; Hall Journal of Medicinal Chemistry, 1983 , vol. 26, # 2 p. 243 - 246
  • Route3

    References

    • Unterhalt; Baudner; Gerke; Kutter; Langfermann Pharmazie, 1994 , vol. 49, # 11 p. 829 - 833

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H300+H330-H320
Precautionary Statements : P260-P264-P270-P271-P284-P304+P340-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   91.75
  • LogP   0.3058
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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