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CS-W001157 4
Total: USD 88.00

2-(Trifluoromethyl)benzothioamide

  • CAS No. 886496-67-9

  • Cat. No. CS-W015380
  • Purity≥95%
  • MDL No.MFCD04973326

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

2-(Trifluoromethyl)benzothioamide|CS-W015380

Structure of 886496-67-9

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General Information

  • CAS No. 886496-67-9
  • Cat. No. CS-W015380
  • Purity ≥95%
  • MDL No. MFCD04973326
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NS
  • Molecular Weight 205.20
  • Synonym(s) 2-(Trifluoromethyl)thiobenzamide
  • SMILES S=C(C1=CC=CC=C1C(F)(F)F)N

Synthesis

  • Route1

    References

    • Sierra, Michael L.; Beneton, Veronique; Boullay, Anne-Benedict; Boyer, Thierry; Brewster, Andrew G.; Donche, Frederic; Forest, Marie-Claire; Fouchet, Marie-Helene; Gellibert, Francoise J.; Grillot, Didier A.; Lambert, Millard H.; Laroze, Alain; Le Grumelec, Christelle; Linget, Jean Michel; Montana, Valerie G.; Nguyen, Van-Loc; Nicodeme, Edwige; Patel, Vipul; Penfornis, Annie; Pineau, Olivier; Pohin, Danig; Potvain, Florent; Poulain, Geraldine; Ruault, Cecile Bertho; Saunders, Michael; Toum, Jerome; Xu, H. Eric; Xu, Robert X.; Pianetti, Pascal M. Journal of Medicinal Chemistry, 2007 , vol. 50, # 4 p. 685 - 695

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H315-H319-H335
Precautionary Statements : P233-P260-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P340-P361-P362-P363-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.3396
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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