structure of S-[(4-cyanophenyl)methyl] ethanethioate

S-[(4-cyanophenyl)methyl] ethanethioate

CAS No.: 643750-00-9
M. Wt: 191.25000
M. Fa: C10H9NOS
InChI Key: -
Appearance: White Solid

Names and Identifiers of S-[(4-cyanophenyl)methyl] ethanethioate

CAS Number

643750-00-9

IUPAC Name

S-[(4-cyanophenyl)methyl] ethanethioate

Canonical SMILES

CC(=O)SCC1=CC=C(C=C1)C#N

Physical and chemical properties of S-[(4-cyanophenyl)methyl] ethanethioate

Exact Mass

191.04000

LogP

2.33798

Molecular Formula

C10H9NOS

Molecular Weight

191.25000

PSA

66.16000

Applications of S-[(4-cyanophenyl)methyl] ethanethioate

S-4-Cyanobenzyl ethanethioate has potential applications in various fields:

  • Pharmaceutical Development: Due to its biological activity, it could serve as a lead compound for developing new medications.
  • Organic Synthesis: It may act as a building block in synthesizing more complex organic molecules or functional materials.
  • Agricultural Chemicals: Its properties might be exploited in creating agrochemicals for pest control or plant growth regulation.

Interaction Studies of S-[(4-cyanophenyl)methyl] ethanethioate

Interaction studies involving S-4-Cyanobenzyl ethanethioate focus on its reactivity with biological macromolecules. For instance:

  • Protein Interactions: Investigating how this compound interacts with proteins could reveal insights into its mechanism of action and potential therapeutic targets.
  • Enzyme Inhibition Studies: Assessing its ability to inhibit specific enzymes may help elucidate its role in biological systems and therapeutic efficacy.

Biological Activity of S-[(4-cyanophenyl)methyl] ethanethioate

Research indicates that compounds similar to S-4-Cyanobenzyl ethanethioate may exhibit significant biological activities, including:

  • Antithrombotic Activity: Some thioesters have been shown to possess antithrombotic properties, making them candidates for therapeutic applications in cardiovascular diseases.
  • Antimicrobial Properties: Thioesters can also demonstrate antimicrobial activity, suggesting potential use in treating infections or as preservatives in pharmaceuticals.

Retrosynthesis analysis of S-[(4-cyanophenyl)methyl] ethanethioate

  • Route#1

    Cas:10387-40-3
    Cas:17201-43-3
    Cas:643750-00-9
  • Route#2

    Cas:17201-43-3
    Cas:643750-00-9