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CS-W001157 4
Total: USD 88.00

2-[4-(methylsulfanyl)phenyl]acetonitrile

  • CAS No. 38746-92-8

  • Cat. No. CS-0217157
  • Molecule weight163.24
  • Purity≥98%
  • MDL No.None

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

2-[4-(methylsulfanyl)phenyl]acetonitrile|CS-0217157

Structure of 38746-92-8

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General Information

  • CAS No. 38746-92-8
  • Cat. No. CS-0217157
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NS
  • Molecular Weight 163.24
  • Synonym(s) p-(Methylthio)phenylacetonitrile
  • SMILES CSC1=CC=C(C=C1)CC#N

Description

2-[4-(methylsulfanyl)phenyl]acetonitrile features a para-methylthio-substituted phenyl ring linked to a nitrile-bearing acetyl side chain. This configuration imparts enhanced solubility and stability under standard bench conditions, enabling efficient integration into cross-coupling and functionalization workflows.

Application

2-[4-(methylsulfanyl)phenyl]acetonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of biologically relevant aryl-alkyl nitriles. The methylsulfanyl group provides robust functional group tolerance and facilitates downstream modifications, while the nitrile moiety supports efficient transformations in nucleophilic additions and cyclizations. Its bench-stable nature and compatibility with standard coupling reactions make it ideal for constructing heterocyclic scaffolds and drug-like molecules.

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   23.79
  • LogP   2.47458
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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