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3-Methylbenzo[b]thiophene-2-carboxaldehyde

  • CAS No. 22053-74-3

  • Cat. No. CS-0207235
  • Molecule weight176.23
  • Purity≥98%
  • MDL No.MFCD00052307

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

3-Methylbenzo[b]thiophene-2-carboxaldehyde|CS-0207235

Structure of 22053-74-3

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General Information

  • CAS No. 22053-74-3
  • Cat. No. CS-0207235
  • Purity ≥98%
  • MDL No. MFCD00052307
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈OS
  • Molecular Weight 176.23
  • Synonym(s) 2-ForMyl-3-Methylbenzo[b]thiophene
  • SMILES CC1=C(C=O)SC2=CC=CC=C12

Synthesis

  • Route1

    References

    • Matthews, Jay M.; Qin, Ning; Colburn, Raymond W.; Dax, Scott L.; Hawkins, Mike; McNally, James J.; Reany, Laura; Youngman, Mark A.; Baker, Judith; Hutchinson, Tasha; Liu, Yi; Lubin, Mary Lou; Neeper, Michael; Brandt, Michael R.; Stone, Dennis J.; Flores, Christopher M. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 8 p. 2922 - 2926
  • Route2
    • null|null
      68-12-2
    • ~%
    • 3-Methylbenzo[b]thiophene-2-carboxaldehyde|CS-0207235
      22053-74-3

    References

    • WO2007/134107 A2, ; Page/Page column 166 ; WO 2007/134107 A2
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 23, p. 560,563

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-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.02222
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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