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CS-W001157 4
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S-(benzo[d]thiazol-2-yl) (Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)ethanethioate

  • CAS No. 89604-91-1

  • Cat. No. CS-0461123
  • Molecule weight351.43
  • Purity≥98%
  • MDL No.None

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

S-(benzo[d]thiazol-2-yl) (Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)ethanethioate|CS-0461123

Structure of 89604-91-1

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General Information

  • CAS No. 89604-91-1
  • Cat. No. CS-0461123
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉N₅O₂S₃
  • Molecular Weight 351.43
  • Synonym(s) S-2-Benzothiazolyl (Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino thioacetate
  • SMILES S(C(/C(=N\OC)/C1=NSC(N)=N1)=O)C2=NC=3C(S2)=CC=CC3

Synthesis

  • Route1
    • null|null
      120-78-5
    • 2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-[(Z)-methoxyimino]acetic acid|CS-0046775
      72217-12-0
    • ~%
    • S-(benzo[d]thiazol-2-yl) (Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)ethanethioate|CS-0461123
      89604-91-1

    References

    • WO2010/89729 A1, ; Page/Page column 25 ;

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   103.35
  • LogP   2.3994
  • H_Acceptors   10
  • H_Donors   1
  • Rotatable_Bonds   4

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