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

  • CAS No. 13338-00-6

  • Cat. No. CS-0078648
  • Molecule weight198.20
  • Purity≥95%
  • MDL No.None

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

2H-Benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide|CS-0078648

Structure of 13338-00-6

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General Information

  • CAS No. 13338-00-6
  • Cat. No. CS-0078648
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O₃S
  • Molecular Weight 198.20
  • Synonym(s) 2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
  • SMILES O=S(C1=CC=CC=C1NC2=O)(N2)=O

Synthesis

  • Route1

    References

    • Troisi, Luigino; Granito, Catia; Perrone, Serena; Rosato, Francesca Tetrahedron Letters, 2011 , vol. 52, # 33 p. 4330 - 4332
  • Route2

    References

    • Ismail, Mohamed A.H.; Abou El Ella, Dalal A.; Abouzid, Khaled A.M.; Mahmoud, Amr H. Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 17 p. 5647 - 5647
  • Route3
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      50881-48-6
    • ~%
    • 2H-Benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide|CS-0078648
      13338-00-6

    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 :
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

Quality Control

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Computational Chemistry Data

  • TPSA   75.27
  • LogP   0.5104
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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