structure of Ethyl 3-sulfanylbenzoate

Ethyl 3-sulfanylbenzoate

CAS No.: 41651-93-8
M. Wt: 182.23900
M. Fa: C9H10O2S
InChI Key: SGANYRZUHNIRAM-UHFFFAOYSA-N

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

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

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.

Retrosynthesis analysis of Ethyl 3-sulfanylbenzoate

  • Route#1

    Cas:24398-88-7
    Cas:41651-93-8
  • Route#2

    Cas:58313-23-8
    Cas:41651-93-8
  • Route#3

    Cas:4869-59-4
    Cas:64-17-5
    Cas:41651-93-8