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3-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanoic acid

  • CAS No. 89139-48-0

  • Cat. No. CS-0207713
  • Molecule weight223.25
  • Purity≥97%
  • MDL No.MFCD01560515

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

3-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanoic acid|CS-0207713

Structure of 89139-48-0

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General Information

  • CAS No. 89139-48-0
  • Cat. No. CS-0207713
  • Purity ≥97%
  • MDL No. MFCD01560515
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₃S
  • Molecular Weight 223.25
  • Synonym(s) 3-(3-oxo-1,2-benzothiazol-2(3H)-yl)propanoic acid
  • SMILES C1=CC=C2C(=C1)C(=O)N(CCC(=O)O)S2

Synthesis

  • Route1

    References

    • Slawik, Tomasz Pharmazie, 1991 , vol. 46, # 11 p. 777 - 780
  • Route2
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    • 3-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanoic acid|CS-0207713
      89139-48-0

    References

    • Maggiali; Mingiardi; Branca; Ricci Farmaco, Edizione Scientifica, 1983 , vol. 38, # 12 p. 935 - 939
  • Route3

    References

    • Maggiali; Mingiardi; Branca; Ricci Farmaco, Edizione Scientifica, 1983 , vol. 38, # 12 p. 935 - 939

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

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Computational Chemistry Data

  • TPSA   59.3
  • LogP   1.5377
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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