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Ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate

  • CAS No. 116170-90-2

  • Cat. No. CS-0036208
  • Molecule weight242.32
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate|CS-0036208

Structure of 116170-90-2

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General Information

  • CAS No. 116170-90-2
  • Cat. No. CS-0036208
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O₂S₂
  • Molecular Weight 242.32
  • Synonym(s) None
  • SMILES CCOC(=O)C1=C(C(=C(SC)S1)C#N)N

Synthesis

  • Route1
    • In-stock
      2-[bis(methylsulfanyl)methylidene]propanedinitrile|CS-0038332
      5147-80-8
    • null|null
      623-51-8
    • ~99%
    • In-stock
      Ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate|CS-0036208
      116170-90-2

    References

    • MILLENNIUM PHARMACEUTICALS, INC.; TAKEDA PHARMACEUTICAL COMPANY LIMITED; BANNO, Hiroshi; HIROSE, Masaaki; KURASAWA, Osamu; LANGSTON, Steven, P.; MIZUTANI, Hirotake; SHI, Zhan; VISIERS, Irache; VOS, Tricia, J.; VYSKOCIL, Stepan Patent: WO2010/90716 A1, 2010 ; Location in patent: Page/Page column 217-218 ;
  • Route2

    References

    • Aventis Pharma S.A. Patent: US2008/146542 A1, 2008 ; Location in patent: Page/Page column 18 ;
  • Route3
    • null|null
      84911-18-2
    • null|null
      20602-68-0
    • ~%
    • In-stock
      Ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate|CS-0036208
      116170-90-2

    References

    • Luo, Laichun; Meng, Lanlan; Sun, Qi; Ge, Zemei; Li, Runtao Tetrahedron Letters, 2014 , vol. 55, # 1 p. 259 - 263

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   76.11
  • LogP   2.10058
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   3

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