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CS-W001157 4
Total: USD 88.00

Methyl3-amino-4-cyano-5-methylthiophene-2-carboxylate

  • CAS No. 85092-72-4

  • Cat. No. CS-0172047
  • Molecule weight196.23
  • Purity≥97%
  • MDL No.None

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

Methyl3-amino-4-cyano-5-methylthiophene-2-carboxylate|CS-0172047

Structure of 85092-72-4

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General Information

  • CAS No. 85092-72-4
  • Cat. No. CS-0172047
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₂S
  • Molecular Weight 196.23
  • Synonym(s) Methyl 3-amino-4-cyano-5-methylthiophene-2-carboxylate
  • SMILES CC1=C(C#N)C(=C(C(=O)OC)S1)N

Synthesis

  • Route1
    • Ethyl ethanedithioate|CS-1058164
      870-73-5
    • null|null
      96-34-4
    • null|null
      109-77-3
    • ~%
    • Methyl3-amino-4-cyano-5-methylthiophene-2-carboxylate|CS-0172047
      85092-72-4

    References

    • Takeda Chemical Industries, Ltd. Patent: US5463073 A1, 1995 ; US 5463073 A
  • Route2

    References

    • Saito, Koji; Kambe, Satoshi; Sakurai, Akio; Midorikawa, Hiroshi Synthesis, 1982 , # 12 p. 1056 - 1059

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   76.11
  • LogP   1.297
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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