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CS-W001157 4
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6-Methylthiochroman-4-one

  • CAS No. 6948-34-1

  • Cat. No. CS-0045325
  • Molecule weight178.25
  • Purity≥98%
  • MDL No.None

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

6-Methylthiochroman-4-one|CS-0045325

Structure of 6948-34-1

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General Information

  • CAS No. 6948-34-1
  • Cat. No. CS-0045325
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀OS
  • Molecular Weight 178.25
  • Synonym(s) 6-METHYLTHIOCHROMANONE
  • SMILES O=C1CCSC2=CC=C(C)C=C12

Description

6-Methylthiochroman-4-one features a fused chromanone core with a methylthio substituent at the 6-position, conferring enhanced lipophilicity and metabolic stability. This scaffold integrates readily into bioactive molecule libraries, offering favorable binding interactions in kinase inhibition and receptor modulation studies.

Application

6-Methylthiochroman-4-one serves as a versatile heterocyclic building block for medicinal chemistry and natural product synthesis. Its thiochromanone core provides a rigid, planar scaffold with defined stereochemical control at C4, enabling selective functionalization. The methylthio substituent offers moderate stability and facilitates subsequent transformations such as oxidation to sulfoxide or sulfone, while the ketone functions as a key site for nucleophilic addition and enolate chemistry. This compound exhibits good bench stability and is amenable to standard purification methods, making it well-suited for iterative synthesis workflows in API development and lead optimization.

Synthesis

  • Route1
    • 3-[(4-Methylphenyl)thio]propanoic acid|CS-0074843
      13739-35-0
    • ~84%
    • In-stock
      6-Methylthiochroman-4-one|CS-0045325
      6948-34-1

    References

    • Li, Ji-Tai; Li, Hong-Ya; Li, Hui-Zhang; Xiao, Li-Wei Journal of Chemical Research, 2004 , # 6 p. 394 - 395
  • Route2
    • null|null
      106-45-6
    • ~%
    • In-stock
      6-Methylthiochroman-4-one|CS-0045325
      6948-34-1

    References

    • Chemische Berichte, , vol. 56, p. 1822
  • Route3
    • Sodium 4-methylbenzenethiolate|CS-0447525
      10486-08-5
    • ~%
    • In-stock
      6-Methylthiochroman-4-one|CS-0045325
      6948-34-1

    References

    • Journal of Chemical Research, , # 6 p. 394 - 395

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   17.07
  • LogP   2.67352
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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