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CS-W001157 4
Total: USD 88.00

5-Methoxy-benzo[d]isothiazole-3-carboxylic acid

  • CAS No. 677304-76-6

  • Cat. No. CS-0342922
  • Molecule weight209.22
  • Purity≥96%
  • MDL No.None

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

5-Methoxy-benzo[d]isothiazole-3-carboxylic acid|CS-0342922

Structure of 677304-76-6

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General Information

  • CAS No. 677304-76-6
  • Cat. No. CS-0342922
  • Purity ≥96%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃S
  • Molecular Weight 209.22
  • Synonym(s) 5-Methoxybenzo[d]isothiazole-3-carboxylic acid
  • SMILES COC1=CC2=C(C=C1)SN=C2C(=O)O

Synthesis

  • Route1
    • 6-Methoxybenzo[b]thiophene-2,3-dione|CS-0669008
      63675-77-4
    • ~87%
    • 5-Methoxy-benzo[d]isothiazole-3-carboxylic acid|CS-0342922
      677304-76-6

    References

    • Xie, Wenge; Herbert, Brian; Ma, Jianguo; Nguyen, Truc Minh; Schumacher, Richard; Gauss, Carla Maria; Tehim, Ashok Patent: US2005/250808 A1, 2005 ; Location in patent: Page/Page column 39 ; US 20050250808 A1
  • Route2
    • null|null
      936923-44-3
    • ~96%
    • 5-Methoxy-benzo[d]isothiazole-3-carboxylic acid|CS-0342922
      677304-76-6

    References

    • MEMORY PHARMACEUTICALS CORPORATION Patent: WO2007/56582 A1, 2007 ; Location in patent: Page/Page column 71 ; WO 2007/056582 A1

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   59.42
  • LogP   2.0031
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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