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CS-W001157 4
Total: USD 88.00

4H-Thiochromen-4-one

  • CAS No. 491-39-4

  • Cat. No. CS-0081199
  • Molecule weight162.21
  • Purity≥98%
  • MDL No.None

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

4H-Thiochromen-4-one|CS-0081199

Structure of 491-39-4

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General Information

  • CAS No. 491-39-4
  • Cat. No. CS-0081199
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆OS
  • Molecular Weight 162.21
  • Synonym(s) 4H-1-Benzothiopyran-4-one
  • SMILES O=C1C2=CC=CC=C2SC=C1

Synthesis

  • Route1
    • null|null
      513-48-4
    • null|null
      637-89-8
    • ~70%
    • null|null
      248938-86-5
    • 4H-Thiochromen-4-one|CS-0081199
      491-39-4

    References

    • Polaroid Corporation Patent: US5977351 A1, 1999 ;
  • Route2

    References

    • Giles, Paul R.; Marson, Charles M. Australian Journal of Chemistry, 1992 , vol. 45, # 2 p. 439 - 443
  • Route3
    • (e)-3-(Phenylthio)acrylic acid|CS-0670495
      706-01-4
    • ~77%
    • 4H-Thiochromen-4-one|CS-0081199
      491-39-4

    References

    • Palani, Thiruvengadam; Park, Kyungho; Song, Kwang Ho; Lee, Sunwoo Advanced Synthesis and Catalysis, 2013 , vol. 355, # 6 p. 1160 - 1168

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
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.2615
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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