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CS-W001157 4
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2-(Benzo[b]thiophen-3-yl)acetic acid

  • CAS No. 1131-09-5

  • Cat. No. CS-0108787
  • Purity≥96%
  • MDL No.MFCD00051637

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

2-(Benzo[b]thiophen-3-yl)acetic acid|CS-0108787

Structure of 1131-09-5

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General Information

  • CAS No. 1131-09-5
  • Cat. No. CS-0108787
  • Purity ≥96%
  • MDL No. MFCD00051637
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₂S
  • Molecular Weight 192.23
  • Synonym(s) Benzo[b]thiophene-3-acetic acid
  • SMILES O=C(O)CC1=CSC2=CC=CC=C21

Description

This benzo[b]thiophene-based carboxylic acid integrates a rigid fused heterocycle with a reactive acetic acid handle, enabling direct coupling in bioconjugation and medicinal chemistry. The electron-rich thiophene core enhances π-stacking potential, while the pendant carboxyl group facilitates derivatization under standard conditions.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 70, p. 3768,3769 Journal of the American Chemical Society, , vol. 71, p. 2856,2857
  • Route2
    • 3-(Chloromethyl)benzo[b]thiophene|CS-1665413
      3216-47-5
    • ~%
    • In-stock
      2-(Benzo[b]thiophen-3-yl)acetic acid|CS-0108787
      1131-09-5

    References

    • Journal of the American Chemical Society, , vol. 70, p. 3768,3769 Journal of the American Chemical Society, , vol. 71, p. 2856,2857
  • Route3

    References

    • Chemistry of Heterocyclic Compounds, , vol. 39, # 4 p. 539 - 540

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.5284
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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