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CS-W001157 4
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2-Chlorobenzyl carbamimidothioate hydrochloride

  • CAS No. 3778-85-6

  • Cat. No. CS-0451846
  • Purity≥98%
  • MDL No.None

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

2-Chlorobenzyl carbamimidothioate hydrochloride|CS-0451846

Structure of 3778-85-6

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General Information

  • CAS No. 3778-85-6
  • Cat. No. CS-0451846
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀Cl₂N₂S
  • Molecular Weight 237.15
  • Synonym(s) Pseudourea, 2-(2-chlorobenzyl)-2-thio-, hydrochloride
  • SMILES C1=CC=C(C(=C1)CSC(=N)N)Cl.Cl

Synthesis

  • Route1
    • null|null
      611-19-8
    • null|null
      17356-08-0
    • ~91%
    • 2-Chlorobenzyl carbamimidothioate hydrochloride|CS-0451846
      3778-85-6

    References

    • Barker, Courtney A.; Allison, Sarah E.; Zlitni, Soumaya; Nguyen, Nick Duc; Das, Rahul; Melacini, Giuseppe; Capretta, Alfredo A.; Brown, Eric D. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 8 p. 2426 - 2431
  • Route2

    References

    • Wyrick; Hall; Dubey Journal of Pharmaceutical Sciences, 1984 , vol. 73, # 3 p. 374 - 377

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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.87
  • LogP   2.88847
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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