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2-(3-Bromophenyl)-5-methyl-1,3,4-thiadiazole

  • CAS No. 173406-59-2

  • Cat. No. CS-0464336
  • Purity≥98%
  • MDL No.None

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

2-(3-Bromophenyl)-5-methyl-1,3,4-thiadiazole|CS-0464336

Structure of 173406-59-2

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General Information

  • CAS No. 173406-59-2
  • Cat. No. CS-0464336
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇BrN₂S
  • Molecular Weight 255.13
  • Synonym(s) None
  • SMILES CC1=NN=C(C2=CC(=CC=C2)Br)S1

Synthesis

  • Route1

    References

    • MERCK SHARP and DOHME CORP.; YOUNG, Jonathan; CZAKO, Barbara; ALTMAN, Michael; GUERIN, David; MARTINEZ, Michelle; RIVKIN, Alexey; WILSON, Kevin; LIPFORD, Kathryn; WHITE, Catherine; SURDI, Laura; CHICHETTI, Stephanie; DANIELS, Matthew, H.; AHEARN, Sean, P.; FALCONE, Danielle; OSIMBONI, Ekundayo Patent: WO2011/84402 A1, 2011 ;

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   3.27602
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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