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CS-W001157 4
Total: USD 88.00

1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl)ethan-1-one

  • CAS No. 141993-16-0

  • Cat. No. CS-0166807
  • Molecule weight257.35
  • Purity≥97%
  • MDL No.MFCD00269649

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

1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl)ethan-1-one|CS-0166807

Structure of 141993-16-0

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General Information

  • CAS No. 141993-16-0
  • Cat. No. CS-0166807
  • Purity ≥97%
  • MDL No. MFCD00269649
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉NO₃S
  • Molecular Weight 257.35
  • Synonym(s) 1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)ethanone
  • SMILES CC1([C@@]23[C@](C[C@@]1([H])CC3)([H])N(S(=O)(C2)=O)C(C)=O)C

Synthesis

  • Route1

    References

    • Jung, Jae-Chul; Kache, Rajashaker; Vines, Kimberly K.; Zheng, Yan-Song; Bijoy, Panicker; Valluri, Muralikrishna; Avery, Mitchell A. Journal of Organic Chemistry, 2004 , vol. 69, # 26 p. 9269 - 9284
  • Route2

    References

    • Altmann, Karl-Heinz; Bold, Guido; Caravatti, Giorgio; Denni, Donatienne; Floersheimer, Andreas; Schmidt, Alfred; Rihs, Grety; Wartmann, Markus Helvetica Chimica Acta, 2002 , vol. 85, # 11 p. 4086 - 4110
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 69, # 26 p. 9269 - 9284

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   54.45
  • LogP   1.3732
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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