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CS-W001157 4
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5-(tert-Butyl)benzo[b]thiophene

  • CAS No. 17515-00-3

  • Cat. No. CS-0105362
  • Molecule weight190.30
  • Purity≥98%
  • MDL No.None

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

5-(tert-Butyl)benzo[b]thiophene|CS-0105362

Structure of 17515-00-3

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General Information

  • CAS No. 17515-00-3
  • Cat. No. CS-0105362
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄S
  • Molecular Weight 190.30
  • Synonym(s) 5-tert-butylbenzo[b]thiophene
  • SMILES CC(C1=CC=C2C(C=CS2)=C1)(C)C

Description

5-(tert-Butyl)benzo[b]thiophene features a sterically hindered tert-butyl group that enhances solubility and stability while maintaining electronic integrity. This electron-rich heterocycle integrates readily into conjugated systems, serving as a robust scaffold for materials synthesis and functional molecular design.

Application

5-(tert-Butyl)benzo[b]thiophene serves as a versatile building block in medicinal chemistry and materials science, offering enhanced solubility and steric bulk due to the tert-butyl group. Its benzo[b]thiophene core enables efficient transition-metal-catalyzed coupling reactions, including Suzuki-Miyaura and Stille couplings, with excellent functional group tolerance. The compound exhibits good bench stability and facilitates purification via standard chromatographic methods, making it well-suited for iterative synthesis of complex heterocyclic scaffolds.

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   4.1988
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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