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CS-W001157 4
Total: USD 88.00

3-Bromobenzothioamide

  • CAS No. 2227-62-5

  • Cat. No. CS-0464821
  • Purity≥98%
  • MDL No.MFCD04973313

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

3-Bromobenzothioamide|CS-0464821

Structure of 2227-62-5

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General Information

  • CAS No. 2227-62-5
  • Cat. No. CS-0464821
  • Purity ≥98%
  • MDL No. MFCD04973313
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrNS
  • Molecular Weight 216.10
  • Synonym(s) 3-Bromothiobenzamide
  • SMILES BrC1=CC=CC(C(N)=S)=C1

Synthesis

  • Route1

    References

    • MERCK and CO., INC. Patent: WO2004/94395 A2, 2004 ; Location in patent: Page 38 ; WO 2004/094395 A2
  • Route2

    References

    • Nagl, Michael; Panuschka, Claudia; Barta, Andrea; Schmid, Walther Synthesis, 2008 , # 24 art. no. T10508SS, p. 4012 - 4018
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 20, # 18 p. 5536 - 5540

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.0833
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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