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.