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CS-W001157 4
Total: USD 88.00

2-Phenylbenzo[b]thiophen-3(2H)-one

  • CAS No. 53614-69-0

  • Cat. No. CS-0545167
  • Purity≥98%
  • MDL No.None

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

2-Phenylbenzo[b]thiophen-3(2H)-one|CS-0545167

Structure of 53614-69-0

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General Information

  • CAS No. 53614-69-0
  • Cat. No. CS-0545167
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₀OS
  • Molecular Weight 226.29
  • Synonym(s) 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one
  • SMILES C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3S2

Synthesis

  • Route1
    • (2-(Benzylthio)phenyl)(morpholino)methanone|CS-1644374
      101729-82-2
    • ~%
    • 2-Phenylbenzo[b]thiophen-3(2H)-one|CS-0545167
      53614-69-0

    References

    • Dahl, Russell; Bravo, Yalda; Sharma, Vandana; Ichikawa, Mie; Dhanya, Raveendra-Panickar; Hedrick, Michael; Brown, Brock; Rascon, Justin; Vicchiarelli, Michael; Mangravita-Novo, Arianna; Yang, Li; Stonich, Derek; Su, Ying; Smith, Layton H.; Sergienko, Eduard; Freeze, Hudson H.; Cosford, Nicholas D. P. Journal of Medicinal Chemistry, 2011 , vol. 54, # 10 p. 3661 - 3668

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

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.7163
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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