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CS-W001157 4
Total: USD 88.00

2-Methylbenzo[b]thiophene-6-carboxylic acid

  • CAS No. 18781-41-4

  • Cat. No. CS-0449357
  • Purity≥98%
  • MDL No.None

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

2-Methylbenzo[b]thiophene-6-carboxylic acid|CS-0449357

Structure of 18781-41-4

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General Information

  • CAS No. 18781-41-4
  • Cat. No. CS-0449357
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₂S
  • Molecular Weight 192.23
  • Synonym(s) 2-Methyl-1-benzothiophene-6-carboxylic acid
  • SMILES CC1=CC2=C(C=C(C=C2)C(=O)O)S1

Synthesis

  • Route1
    • Methyl 2-methylbenzo[b]thiophene-6-carboxylate|CS-0868743
      18781-42-5
    • ~99%
    • 2-Methylbenzo[b]thiophene-6-carboxylic acid|CS-0449357
      18781-41-4

    References

    • ELI LILLY AND COMPANY Patent: WO2006/107784 A1, 2006 ; Location in patent: Page/Page column 136 ; WO 2006/107784 A1

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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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   37.3
  • LogP   2.90792
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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