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CS-W001157 4
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7-Bromo-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide

  • CAS No. 14141-71-0

  • Cat. No. CS-0092060
  • Molecule weight277.10
  • Purity≥98%
  • MDL No.None

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

7-Bromo-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide|CS-0092060

Structure of 14141-71-0

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General Information

  • CAS No. 14141-71-0
  • Cat. No. CS-0092060
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrN₂O₃S
  • Molecular Weight 277.10
  • Synonym(s) 2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-bromo-, 1,1-dioxide
  • SMILES O=C(NC1=CC=C(Br)C=C12)NS2(=O)=O

Synthesis

  • Route1
    • null|null
      1189-71-5
    • null|null
      106-40-1
    • ~70%
    • 7-Bromo-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide|CS-0092060
      14141-71-0

    References

    • De Tullio, Pascal; Becker, Benedicte; Boverie, Stephane; Dabrowski, Michael; Wahl, Philip; Antoine, Marie-Helene; Somers, Fabian; Sebille, Sophie; Ouedraogo, Raogo; Hansen, John Bondo; Lebrun, Philippe; Pirotte, Bernard Journal of Medicinal Chemistry, 2003 , vol. 46, # 15 p. 3342 - 3353
  • Route2
    • 2H-Benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide|CS-0078648
      13338-00-6
    • ~%
    • 7-Bromo-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide|CS-0092060
      14141-71-0

    References

    • Di Bella,M. et al. Farmaco, Edizione Scientifica, 1966 , vol. 21, p. 829 - 838
  • Route3
    • null|null
      106-40-1
    • ~%
    • 7-Bromo-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide|CS-0092060
      14141-71-0

    References

    • Rockway, Todd W.; Zhang, Rong; Liu, Dachun; Betebenner, David A.; McDaniel, Keith F.; Pratt, John K.; Beno, David; Montgomery, Debra; Jiang, Wen W.; Masse, Sherie; Kati, Warren M.; Middleton, Tim; Molla, Akhteruzzaman; Maring, Clarence J.; Kempf, Dale J. Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 14 p. 3833 - 3838

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   75.27
  • LogP   1.2729
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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