Ethyl 3-sulfanylbenzoate
Names and Identifiers of Ethyl 3-sulfanylbenzoate
CAS Number |
41651-93-8 |
|---|---|
IUPAC Name |
ethyl 3-sulfanylbenzoate |
InChI |
InChI=1S/C9H10O2S/c1-2-11-9(10)7-4-3-5-8(12)6-7/h3-6,12H,2H2,1H3 |
InChIKey |
SGANYRZUHNIRAM-UHFFFAOYSA-N |
Canonical SMILES |
CCOC(=O)C1=CC(=CC=C1)S |
Physical and chemical properties of Ethyl 3-sulfanylbenzoate
Exact Mass |
182.04000 |
|---|---|
LogP |
2.15200 |
Molecular Formula |
C9H10O2S |
Molecular Weight |
182.23900 |
PSA |
65.10000 |
Safety Information of Ethyl 3-sulfanylbenzoate
Applications of Ethyl 3-sulfanylbenzoate
Ethyl 3-sulfanylbenzoate has several applications:
- Pharmaceuticals: Due to its biological activity, it may serve as a lead compound for developing new drugs targeting specific diseases.
- Chemical Intermediates: In organic synthesis, it can act as an intermediate for producing more complex molecules.
- Flavoring Agents: Compounds with sulfur groups are often used in flavor chemistry due to their unique sensory properties.
Interaction Studies of Ethyl 3-sulfanylbenzoate
Interaction studies involving ethyl 3-sulfanylbenzoate focus on its reactivity with various biological molecules and its potential effects on metabolic pathways. Research indicates that it may interact with proteins involved in oxidative stress responses, suggesting a role in modulating cellular processes related to inflammation and disease.
Biological Activity of Ethyl 3-sulfanylbenzoate
The biological activity of ethyl 3-sulfanylbenzoate has been explored primarily in the context of its potential as a pharmaceutical agent. Compounds containing sulfanyl groups are often investigated for their antioxidant properties and ability to inhibit certain enzymes. Ethyl 3-sulfanylbenzoate has shown promise in preliminary studies for its potential inhibitory effects on specific biological pathways, making it a candidate for further research in drug development.
