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5-(Methylsulfanyl)-2,3-dihydro-1H-indole-2,3-dione

  • CAS No. 418772-01-7

  • Cat. No. CS-0185263
  • Molecule weight193.22
  • Purity≥98%
  • MDL No.None

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

5-(Methylsulfanyl)-2,3-dihydro-1H-indole-2,3-dione|CS-0185263

Structure of 418772-01-7

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General Information

  • CAS No. 418772-01-7
  • Cat. No. CS-0185263
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂S
  • Molecular Weight 193.22
  • Synonym(s) 5-(methylthio)-1H-indole-2,3-dione
  • SMILES O=C1NC2=C(C=C(SC)C=C2)C1=O

Synthesis

  • Route1

    References

    • GLAXOSMITHKLINE LLC; BROOKS, Carl, A.; CHEUNG, Mui; EIDAM, Hilary, S.; FOX, Ryan, M.; HILFIKER, Mark, A.; MANAS, Eric, S.; YE, Guosen Patent: WO2011/119701 A1, 2011 ; Location in patent: Page/Page column 36 ; WO 2011/119701 A1
  • Route2

    References

    • Pirrung, Michael C.; Pansare, Sunil V.; Das Sarma, Koushik; Keith, Kathy A.; Kern, Earl R. Journal of Medicinal Chemistry, 2005 , vol. 48, # 8 p. 3045 - 3050
  • Route3

    References

    • Brand Archiv der Pharmazie (Weinheim, Germany), 1934 , vol. 272, p. 269,272 Anm.

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   1.5433
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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