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

  • CAS No. 1735-13-3

  • Cat. No. CS-0093886
  • Purity≥98%
  • MDL No.MFCD07377057

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

4-Methylbenzo[b]thiophene-2-carboxylic acid|CS-0093886

Structure of 1735-13-3

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General Information

  • CAS No. 1735-13-3
  • Cat. No. CS-0093886
  • Purity ≥98%
  • MDL No. MFCD07377057
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₂S
  • Molecular Weight 192.23
  • Synonym(s) OCANRQFAJMJHTR-UHFFFAOYSA-N
  • SMILES O=C(C1=CC2=C(C)C=CC=C2S1)O

Description

4-Methylbenzo[b]thiophene-2-carboxylic acid integrates a fused thiophene core with a methyl-substituted benzene ring and a carboxylic acid group at the 2-position, delivering enhanced electronic delocalization and solubility. This structure enables direct incorporation into bioactive scaffolds, particularly in kinase inhibitors and fluorescent probes. The compound exhibits robust stability under standard bench conditions and responds predictably to common coupling reactions.

Application

4-Methylbenzo[b]thiophene-2-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient access to biologically relevant scaffolds. Its carboxylic acid functionality facilitates direct coupling reactions and derivatization, while the methyl group enhances metabolic stability. The fused benzo[b]thiophene core provides structural rigidity and favorable π-stacking interactions, making it valuable in medicinal chemistry and materials science applications.

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-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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