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CS-W001157 4
Total: USD 88.00

2-((Methylthio)(phenylamino)methylene)malononitrile

  • CAS No. 17823-65-3

  • Cat. No. CS-0582690
  • Molecule weight215.27
  • Purity≥98%
  • MDL No.None

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

2-((Methylthio)(phenylamino)methylene)malononitrile|CS-0582690

Structure of 17823-65-3

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General Information

  • CAS No. 17823-65-3
  • Cat. No. CS-0582690
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉N₃S
  • Molecular Weight 215.27
  • Synonym(s) 2-[anilino(methylsulfanyl)methylidene]propanedinitrile
  • SMILES CSC(=C(C#N)C#N)NC1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      103-72-0
    • null|null
      109-77-3
    • null|null
      74-88-4
    • ~99%
    • 2-((Methylthio)(phenylamino)methylene)malononitrile|CS-0582690
      17823-65-3

    References

    • AXIKIN PHARMACEUTICALS, INC.; RAAUM, Erik, Dean; POTTER, Garrett, Thomas; LY, Tai, Wei Patent: WO2013/138613 A1, 2013 ; Location in patent: Paragraph 00290 ;
  • Route2

    References

    • Mukaiyama, Harunobu; Nishimura, Toshihiro; Shiohara, Hiroaki; Kobayashi, Satoko; Komatsu, Yoshimitsu; Kikuchi, Shinji; Tsuji, Eiichi; Kamada, Noboru; Ohnota, Hideki; Kusama, Hiroshi Chemical and Pharmaceutical Bulletin, 2007 , vol. 55, # 6 p. 881 - 889
  • Route3
    • 2-Cyano-3,3-bis(methylthio)acrylamide|CS-0150112
      17823-69-7
    • ~%
    • 2-((Methylthio)(phenylamino)methylene)malononitrile|CS-0582690
      17823-65-3

    References

    • Yokoyama, Masataka; Hatanaka, Hidekatsu; Sasaki, Atsuhi; Shiraishi, Tadashi; Kumata, Katsushi; et al. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1986 , p. 1187 - 1196

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

Quality Control

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Computational Chemistry Data

  • TPSA   59.61
  • LogP   2.72026
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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