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Methyl 2-((cyanomethyl)thio)benzoate

  • CAS No. 57601-89-5

  • Cat. No. CS-0322899
  • Molecule weight207.25
  • Purity95+%
  • MDL No.MFCD00068076

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

Methyl 2-((cyanomethyl)thio)benzoate|CS-0322899

Structure of 57601-89-5

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General Information

  • CAS No. 57601-89-5
  • Cat. No. CS-0322899
  • Purity 95+%
  • MDL No. MFCD00068076
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂S
  • Molecular Weight 207.25
  • Synonym(s) Methyl 2-[(Cyanomethyl)thio]benzoate
  • SMILES COC(=O)C1=CC=CC=C1SCC#N

Safety Information

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Hazard Statements : N/A
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Computational Chemistry Data

  • TPSA   50.09
  • LogP   2.08888
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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