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CS-W001157 4
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5-Chloro-3-methyl-1-benzothiophene-2-carboxylic acid

  • CAS No. 50451-84-8

  • Cat. No. CS-0072101
  • Purity≥98%
  • MDL No.None

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

5-Chloro-3-methyl-1-benzothiophene-2-carboxylic acid|CS-0072101

Structure of 50451-84-8

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General Information

  • CAS No. 50451-84-8
  • Cat. No. CS-0072101
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇ClO₂S
  • Molecular Weight 226.68
  • Synonym(s) 5-Chloro-3-methyl-benzo[b]thiophene-2-carboxylic Acid
  • SMILES O=C(O)C1=C(C)C2=CC(Cl)=CC=C2S1

Description

5-Chloro-3-methyl-1-benzothiophene-2-carboxylic acid features a rigid benzothiophene core with complementary electron-withdrawing chlorine and methyl substituents, enabling precise tuning of reactivity and solubility. This carboxylic acid moiety facilitates direct coupling in synthetic sequences, delivering structural diversity for medicinal chemistry applications.

Application

5-Chloro-3-methyl-1-benzothiophene-2-carboxylic acid serves as a versatile building block for the synthesis of biologically active heterocycles and pharmaceutical intermediates. Its well-defined reactivity enables efficient functionalization at the carboxylic acid and aromatic positions, facilitating coupling reactions, derivatization, and incorporation into complex scaffolds. The molecule exhibits good bench stability and facilitates straightforward purification, making it suitable for iterative synthetic workflows in medicinal chemistry and process 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-H315-H319-H332-H335
Precautionary Statements : P264-P302+P352-P304+P340

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.56132
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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