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2-(1,3-Benzothiazol-2-yl)-1-phenylethan-1-one

  • CAS No. 56071-71-7

  • Cat. No. CS-0218476
  • Molecule weight253.32
  • Purity≥97%
  • MDL No.None

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

2-(1,3-Benzothiazol-2-yl)-1-phenylethan-1-one|CS-0218476

Structure of 56071-71-7

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General Information

  • CAS No. 56071-71-7
  • Cat. No. CS-0218476
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₁NOS
  • Molecular Weight 253.32
  • Synonym(s) 2-BENZOTHIAZOL-2-YL-1-PHENYL-ETHANONE
  • SMILES C1=CC=C(C=C1)C(=O)CC2=NC3=CC=CC=C3S2

Synthesis

  • Route1

    References

    • KINETEK PHARMACEUTICALS, INC. Patent: WO2004/11460 A2, 2004 ; Location in patent: Page 99 ; WO 2004/011460 A2
  • Route2
    • null|null
      93-58-3
    • null|null
      125414-91-7
    • ~51%
    • 2-(1,3-Benzothiazol-2-yl)-1-phenylethan-1-one|CS-0218476
      56071-71-7

    References

    • Costa, Maria Virginia; Brembilla, Alain; Roizard, Denis; Lochon, Pierre Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 6 p. 1541 - 1544
  • Route3

    References

    • Costa, Maria Virginia; Brembilla, Alain; Roizard, Denis; Lochon, Pierre Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 6 p. 1541 - 1544

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   3.7217
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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