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CS-W001157 4
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3-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)propanethioamide

  • CAS No. 57001-43-1

  • Cat. No. CS-0117088
  • Purity≥95%
  • MDL No.None

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

3-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)propanethioamide|CS-0117088

Structure of 57001-43-1

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General Information

  • CAS No. 57001-43-1
  • Cat. No. CS-0117088
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O₂S
  • Molecular Weight 234.27
  • Synonym(s) 3-(1,3-dioxoisoindolin-2-yl)propanethioaMide
  • SMILES S=C(N)CCN(C(C1=C2C=CC=C1)=O)C2=O

Synthesis

  • Route1

    References

    • Imanishi, Naoki; Iwaoka, Kiyoshi; Koshio, Hiroyuki; Nagashima, Shin-Ya; Kazuta, Ken-Ichi; Ohta, Mitsuaki; Sakamoto, Shuichi; Ito, Hiroyuki; Akuzawa, Shinobu; Kiso, Tetsuo; Tsukamoto, Shin-Ichi; Mase, Toshiyasu Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 7 p. 1493 - 1502

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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   63.4
  • LogP   0.9588
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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