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CS-W001157 4
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2-Tert-butyl-5-chloro-2,3-dihydro-1λ6,2-thiazole-1,1,3-trione

  • CAS No. 850314-47-5

  • Cat. No. CS-0243576
  • Purity≥95%
  • MDL No.None

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

2-Tert-butyl-5-chloro-2,3-dihydro-1λ6,2-thiazole-1,1,3-trione|CS-0243576

Structure of 850314-47-5

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General Information

  • CAS No. 850314-47-5
  • Cat. No. CS-0243576
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀ClNO₃S
  • Molecular Weight 223.68
  • Synonym(s) 2-Tert-butyl-5-chloro-1,1-dioxoisothiazol-3(2H)-one
  • SMILES CC(C)(C)N1C(=O)C=C(Cl)S1(=O)=O

Synthesis

  • Route1

    References

    • Combs, Andrew P.; Yue, Eddy W.; Bower, Michael; Ala, Paul J.; Wayland, Brian; Douty, Brent; Takvorian, Amy; Polam, Padmaja; Wasserman, Zelda; Zhu, Wenyu; Crawley, Matthew L.; Pruitt, James; Sparks, Richard; Glass, Brian; Modi, Dilip; McLaughlin, Erin; Bostrom, Lori; Li, Mei; Galya, Laurine; Blom, Karl; Hillman, Milton; Gonneville, Lucie; Reid, Brian G.; Wei, Min; Becker-Pasha, Mary; Klabe, Ronald; Huber, Reid; Li, Yanlong; Hollis, Gregory; Burn, Timothy C.; Wynn, Richard; Liu, Phillip; Metcalf, Brian Journal of Medicinal Chemistry, 2005 , vol. 48, # 21 p. 6544 - 6548

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.45
  • LogP   1.0371
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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