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2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-4-carboxylic acid

  • CAS No. 1530793-63-5

  • Cat. No. CS-0369005
  • Purity≥95%
  • MDL No.None

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

2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-4-carboxylic acid|CS-0369005

Structure of 1530793-63-5

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General Information

  • CAS No. 1530793-63-5
  • Cat. No. CS-0369005
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂N₂O₂S
  • Molecular Weight 236.29
  • Synonym(s) None
  • SMILES O=C(C1(C)CCCC2=C1C(C#N)=C(N)S2)O

Description

This tetrahydrobenzo[b]thiophene scaffold features a cyano and carboxylic acid group flanking a methyl-substituted core, enabling direct incorporation into bioactive molecule design. The amino functionality enhances solubility and provides a handle for conjugation, while the fused heterocyclic system imparts rigidity and metabolic stability.

Application

2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-4-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and synthetic organic applications. Its fused tetrahydrothiophene core supports diverse functional group manipulations, including amidation and coupling reactions. The molecule exhibits good bench stability and facilitates the construction of complex scaffolds via standard transformations.

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

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Computational Chemistry Data

  • TPSA   87.11
  • LogP   1.88058
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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