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3-(Benzylamino)-2,3-dihydrothiophene 1,1-dioxide

  • CAS No. 61322-63-2

  • Cat. No. CS-0352135
  • Purity≥97%
  • MDL No.None

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

3-(Benzylamino)-2,3-dihydrothiophene 1,1-dioxide|CS-0352135

Structure of 61322-63-2

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General Information

  • CAS No. 61322-63-2
  • Cat. No. CS-0352135
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₂S
  • Molecular Weight 223.29
  • Synonym(s) 3-(Benzylamino)-2,3-dihydrothiophene 1,1-dioxide hydrochloride
  • SMILES O=S1(C=CC(NCC2=CC=CC=C2)C1)=O

Synthesis

  • Route1

    References

    • The Research Foundation of State Univ. of New York Patent: US4656289 A1, 1987 ;
  • Route2
    • Rac-(3r,4r)-3,4-dibromo-1λ6-thiolane-1,1-dione, trans|CS-0246028
      7311-84-4
    • null|null
      100-46-9
    • ~%
    • 3-(Benzylamino)-2,3-dihydrothiophene 1,1-dioxide|CS-0352135
      61322-63-2

    References

    • Bates, Hans Aaron; Smilowitz, Lloyd; Rosenblum, Stuart B. Journal of the Chemical Society, Chemical Communications, 1985 , # 6 p. 353 - 354

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   46.17
  • LogP   1.0869
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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