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CS-W001157 4
Total: USD 88.00

1-(4,4-Dimethylthiochroman-6-yl)ethanone

  • CAS No. 88579-23-1

  • Cat. No. CS-M1893
  • Purity≥97%
  • MDL No.MFCD09833012

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

1-(4,4-Dimethylthiochroman-6-yl)ethanone|CS-M1893

Structure of 88579-23-1

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General Information

  • CAS No. 88579-23-1
  • Cat. No. CS-M1893
  • Purity ≥97%
  • MDL No. MFCD09833012
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆OS
  • Molecular Weight 220.33
  • Synonym(s) 6-Acetyl-4,4-dimethylthio-chroman
  • SMILES O=C(C)C(C=C1)=CC2=C1SCCC2(C)C

Synthesis

  • Route1
    • 4,4-Dimethylthiochroman|CS-0015893
      66165-06-8
    • null|null
      75-36-5
    • ~85%
    • In-stock
      1-(4,4-Dimethylthiochroman-6-yl)ethanone|CS-M1893
      88579-23-1

    References

    • Dawson, Marcia I.; Hobbs, Peter D.; Derdzinski, Krzysztof; Chan, Rebecca L.-S.; Gruber, John; et al. Journal of Medicinal Chemistry, 1984 , vol. 27, # 11 p. 1516 - 1531
  • Route2
    • (3-Methylbut-2-en-1-yl)(phenyl)sulfane|CS-0539241
      10276-04-7
    • ~%
    • In-stock
      1-(4,4-Dimethylthiochroman-6-yl)ethanone|CS-M1893
      88579-23-1

    References

    • Journal of Medicinal Chemistry, , vol. 28, # 1 p. 116 - 124
  • Route3
    • null|null
      108-98-5
    • ~%
    • In-stock
      1-(4,4-Dimethylthiochroman-6-yl)ethanone|CS-M1893
      88579-23-1

    References

    • Journal of Medicinal Chemistry, , vol. 27, # 11 p. 1516 - 1531

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.6626
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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