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CS-W001157 4
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5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2(3h)-imine

  • CAS No. 299442-99-2

  • Cat. No. CS-0269661
  • Molecule weight257.76
  • Purity95+%
  • MDL No.None

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

5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2(3h)-imine|CS-0269661

Structure of 299442-99-2

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General Information

  • CAS No. 299442-99-2
  • Cat. No. CS-0269661
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈ClN₃S₂
  • Molecular Weight 257.76
  • Synonym(s) 5-[(2-Chlorobenzyl)thio]-1,3,4-thiadiazol-2-amine
  • SMILES C1=CC=C(C(=C1)CSC2=NNC(=N)S2)Cl

Synthesis

  • Route1
    • null|null
      611-17-6
    • 5-Amino-1,3,4-thiadiazole-2(3H)-thione Acetazolamide Impurity|CS-0229575
      2349-67-9
    • ~%
    • 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2(3h)-imine|CS-0269661
      299442-99-2

    References

    • VANDERBILT UNIVERSITY; CONN, P. Jeffrey; LINDSLEY, Craig W.; HOPKINS, Corey R.; WEAVER, Charles David; NISWENDER, Colleen M.; GOGLIOTTI, Rocco D.; CHEUNG, Yiu-Yin; SALOVICH, James M.; ENGERS, Darren W. Patent: WO2011/143466 A1, 2011 ; Location in patent: Page/Page column 70 ; WO 2011/143466 A1
  • Route2
    • null|null
      611-17-6
    • 5-Amino-1,3,4-thiadiazole-2(3H)-thione Acetazolamide Impurity|CS-0229575
      2349-67-9
    • ~%
    • 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2(3h)-imine|CS-0269661
      299442-99-2

    References

    • WO2011/143466 A1, ; Page/Page column 70 ; WO 2011/143466 A1

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

Quality Control

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Computational Chemistry Data

  • TPSA   52.53
  • LogP   2.89637
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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