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

  • CAS No. 129332-45-2

  • Cat. No. CS-0316550
  • Molecule weight228.29
  • Purity≥97%
  • MDL No.None

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

Methyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate|CS-0316550

Structure of 129332-45-2

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General Information

  • CAS No. 129332-45-2
  • Cat. No. CS-0316550
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₂S₂
  • Molecular Weight 228.29
  • Synonym(s) methyl 3-amino-4-cyano-5-(methylsulfanyl)thiophene-2-carboxylate
  • SMILES COC(=O)C1=C(C(=C(SC)S1)C#N)N

Synthesis

  • Route1

    References

    • MILLENNIUM PHARMACEUTICALS, INC. Patent: WO2009/94224 A1, 2009 ; Location in patent: Page/Page column 49-50 ;
  • Route2
    • null|null
      133180-31-1
    • null|null
      74-88-4
    • ~82%
    • Methyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate|CS-0316550
      129332-45-2

    References

    • Briel Pharmazie, 1995 , vol. 50, # 10 p. 675 - 678

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   76.11
  • LogP   1.71048
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   2

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