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CS-W001157 4
Total: USD 88.00

4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid

  • CAS No. 40133-07-1

  • Cat. No. CS-W008711
  • Purity≥98%
  • MDL No.MFCD00464469

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

4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid|CS-W008711

Structure of 40133-07-1

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General Information

  • CAS No. 40133-07-1
  • Cat. No. CS-W008711
  • Purity ≥98%
  • MDL No. MFCD00464469
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂S
  • Molecular Weight 182.24
  • Synonym(s) 4,5,6,7-Tetrahydrobenzothiophene-2-carboxylic acid; benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-
  • SMILES O=C(C1=CC(CCCC2)=C2S1)O

Description

This tetrahydrobenzo[b]thiophene derivative features a fused bicyclic core with a carboxylic acid handle, offering enhanced solubility and metabolic stability. The saturated thiophene ring imparts conformational rigidity, while the acidic functionality enables direct derivatization for medicinal chemistry applications.

Application

4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its carboxylic acid functionality enables direct derivatization via amide, ester, or acyl chloride formation, while the saturated thiophene core provides enhanced metabolic stability and tunable lipophilicity. The scaffold exhibits good bench stability and facilitates efficient functional group manipulation in standard coupling protocols.

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   2.3251
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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