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CS-W001157 4
Total: USD 88.00

1-(3-Methyl-1-benzothiophen-2-yl)ethanone

  • CAS No. 18781-31-2

  • Cat. No. CS-0309008
  • Molecule weight190.26
  • Purity95+%
  • MDL No.None

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

1-(3-Methyl-1-benzothiophen-2-yl)ethanone|CS-0309008

Structure of 18781-31-2

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General Information

  • CAS No. 18781-31-2
  • Cat. No. CS-0309008
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀OS
  • Molecular Weight 190.26
  • Synonym(s) 2-Acetyl-3-Methylbenzo[b]Thiophene
  • SMILES CC1=C(C(=O)C)SC2=CC=CC=C12

Synthesis

  • Route1

    References

    • Lindh, Jonas; Sjoeberg, Per J. R.; Larhed, Mats Angewandte Chemie - International Edition, 2010 , vol. 49, # 42 p. 7733 - 7737
  • Route2
    • 3-(Chloromethyl)benzo[b]thiophene|CS-1665413
      3216-47-5
    • ~%
    • 1-(3-Methyl-1-benzothiophen-2-yl)ethanone|CS-0309008
      18781-31-2

    References

    • Journal of the American Chemical Society, , vol. 74, p. 2185,2187
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 74, p. 2185,2187

Safety Information

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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   3.41232
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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