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7-Chloro-5-methoxy-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide

  • CAS No. 820214-08-2

  • Cat. No. CS-0069971
  • Molecule weight262.67
  • Purity≥98%
  • MDL No.None

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

7-Chloro-5-methoxy-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide|CS-0069971

Structure of 820214-08-2

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General Information

  • CAS No. 820214-08-2
  • Cat. No. CS-0069971
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClN₂O₄S
  • Molecular Weight 262.67
  • Synonym(s) 2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-chloro-5-methoxy-, 1,1-dioxide
  • SMILES O=C(NC1=C(OC)C=C(Cl)C=C12)NS2(=O)=O

Synthesis

  • Route1

    References

    • Wang, Yonghui; Busch-Petersen, Jakob; Wang, Feng; Ma, Lanping; Fu, Wei; Kerns, Jeffrey K.; Jin, Jian; Palovich, Michael R.; Shen, Jing-Kang; Burman, Miriam; Foley, James J.; Schmidt, Dulcie B.; Hunsberger, Gerald E.; Sarau, Henry M.; Widdowson, Katherine L. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 14 p. 3864 - 3867
  • Route2

    References

    • Wang, Yonghui; Busch-Petersen, Jakob; Wang, Feng; Ma, Lanping; Fu, Wei; Kerns, Jeffrey K.; Jin, Jian; Palovich, Michael R.; Shen, Jing-Kang; Burman, Miriam; Foley, James J.; Schmidt, Dulcie B.; Hunsberger, Gerald E.; Sarau, Henry M.; Widdowson, Katherine L. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 14 p. 3864 - 3867

Safety Information

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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

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Computational Chemistry Data

  • TPSA   84.5
  • LogP   1.1724
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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