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CS-W001157 4
Total: USD 88.00

Thiochroman-4-one

  • CAS No. 3528-17-4

  • Cat. No. CS-0042375
  • Molecule weight164.22
  • Purity≥98%
  • MDL No.MFCD00006882

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

Thiochroman-4-one|CS-0042375

Structure of 3528-17-4

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General Information

  • CAS No. 3528-17-4
  • Cat. No. CS-0042375
  • Purity ≥98%
  • MDL No. MFCD00006882
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈OS
  • Molecular Weight 164.22
  • Synonym(s) 2,3-dihydro-4H-1-benzothiopyran-4-one
  • SMILES O=C1CCSC2=CC=CC=C12

Description

Thiochroman-4-one was used as the starting reactant for synthesis of series of pyrazoles and isoxazoles.

Synthesis

  • Route1
    • 3,4-dihydro-2h-1-benzothiopyran-4-ol|CS-0252528
      40316-60-7
    • ~95%
    • In-stock
      Thiochroman-4-one|CS-0042375
      3528-17-4

    References

    • Pandey, Sanjay K.; Bisai, Alakesh; Singh, Vinod K. Synthetic Communications, 2007 , vol. 37, # 23 p. 4099 - 4103
  • Route2
    • null|null
      93622-03-8
    • ~91%
    • In-stock
      Thiochroman-4-one|CS-0042375
      3528-17-4

    References

    • Hajipour, Abdol R.; Adibi, Hadi; Ruoho, Arnold E. Journal of Organic Chemistry, 2003 , vol. 68, # 11 p. 4553 - 4555
  • Route3
    • 3-(Phenylthio)propanoic acid|CS-0072022
      5219-65-8
    • ~79%
    • In-stock
      Thiochroman-4-one|CS-0042375
      3528-17-4

    References

    • Li, Ji-Tai; Li, Hong-Ya; Li, Hui-Zhang; Xiao, Li-Wei Journal of Chemical Research, 2004 , # 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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.3651
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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