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CS-W001157 4
Total: USD 88.00

3-(4-(Methylthio)phenyl)acrylic acid

  • CAS No. 102016-58-0

  • Cat. No. CS-0505024
  • Molecule weight194.25
  • Purity≥97%
  • MDL No.None

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

3-(4-(Methylthio)phenyl)acrylic acid|CS-0505024

Structure of 102016-58-0

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General Information

  • CAS No. 102016-58-0
  • Cat. No. CS-0505024
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₂S
  • Molecular Weight 194.25
  • Synonym(s) 4-THIOMETHYLCINNAMIC ACID
  • SMILES O=C(O)C=CC1=CC=C(SC)C=C1

Description

This acrylate features a para-methylthio-substituted phenyl ring, delivering enhanced electron density and improved solubility in organic media. The conjugated system enables efficient coupling in polymer synthesis and functional material design. Bench-stable and moisture-tolerant, it integrates seamlessly into diverse reaction platforms.

Application

3-(4-(Methylthio)phenyl)acrylic acid serves as a versatile building block for conjugated systems, enabling efficient access to functionalized styrenes and heterocycles. Its conjugated enone motif facilitates Michael additions and Diels-Alder reactions, while the methylthio group offers orthogonal handling for subsequent transformations. The compound exhibits good bench stability and is readily purified by recrystallization, supporting scalable synthesis in medicinal chemistry and materials applications.

Synthesis

  • Route1
    • null|null
      79-10-7
    • ~%
    • In-stock
      3-(4-(Methylthio)phenyl)acrylic acid|CS-0505024
      102016-58-0

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 20, # 11 p. 3380 - 3383
  • Route2
    • null|null
      141-82-2
    • In-stock
      4-(Methylthio)benzaldehyde|CS-W016298
      3446-89-7
    • ~%
    • In-stock
      3-(4-(Methylthio)phenyl)acrylic acid|CS-0505024
      102016-58-0

    References

    • Chemistry - A European Journal, , vol. 10, # 21 p. 5345 - 5353

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   2.5063
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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