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CS-W001157 4
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3-Methylbenzo[b]thiophene-2-carboxylic acid

  • CAS No. 3133-78-6

  • Cat. No. CS-W015810
  • Purity≥97%
  • MDL No.MFCD01830305

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

3-Methylbenzo[b]thiophene-2-carboxylic acid|CS-W015810

Structure of 3133-78-6

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General Information

  • CAS No. 3133-78-6
  • Cat. No. CS-W015810
  • Purity ≥97%
  • MDL No. MFCD01830305
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₂S
  • Molecular Weight 192.23
  • Synonym(s) 3-Methyl-1-benzothiophene-2-carboxylic acid
  • SMILES CC1=C(SC2=CC=CC=C12)C(O)=O

Description

3-Methylbenzo[b]thiophene-2-carboxylic acid features a fused heterocyclic core with a methyl group at the 3-position and a carboxylic acid at the 2-position, delivering enhanced solubility and reactivity. This scaffold integrates readily into pharmaceutical intermediates and functional materials due to its electron-rich aromatic system and defined polarity.

Application

3-Methylbenzo[b]thiophene-2-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and materials science applications. Its carboxylic acid functionality enables direct derivatization via amide, ester, or acyl chloride formation, while the fused thiophene core offers enhanced stability and defined electronic properties. The methyl substituent provides a handle for further functionalization and influences regioselectivity in subsequent transformations. This compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis and library development.

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 : H302-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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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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