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Methyl 3-((3-cyanobenzyl)thio)butanoate

  • CAS No. 1424395-85-6

  • Cat. No. CS-0279119
  • Purity≥98%
  • MDL No.None

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

Methyl 3-((3-cyanobenzyl)thio)butanoate|CS-0279119

Structure of 1424395-85-6

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General Information

  • CAS No. 1424395-85-6
  • Cat. No. CS-0279119
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅NO₂S
  • Molecular Weight 249.33
  • Synonym(s) Butanoic acid, 3-[[(3-cyanophenyl)methyl]thio]-, methyl ester
  • SMILES CC(SCC1=CC=CC(C#N)=C1)CC(OC)=O

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

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   2.74308
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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