structure of 2-{[(difluoromethyl)sulfanyl]methyl}furan-3-carboxylic acid

2-{[(difluoromethyl)sulfanyl]methyl}furan-3-carboxylic acid

CAS No.: 1000932-75-1
M. Wt: 208.18
M. Fa: C7H6F2O3S
InChI Key: WGCGYFVAXAWGDY-UHFFFAOYSA-N

Names and Identifiers of 1000932-75-1

CAS Number

1000932-75-1

MDL Number

MFCD09863400

IUPAC Name

2-{[(difluoromethyl)sulfanyl]methyl}furan-3-carboxylic acid

InChI

InChI=1S/C7H6F2O3S/c8-7(9)13-3-5-4(6(10)11)1-2-12-5/h1-2,7H,3H2,(H,10,11)

InChIKey

WGCGYFVAXAWGDY-UHFFFAOYSA-N

Canonical SMILES

O=C(O)C1=C(CSC(F)F)OC=C1

UNSPSC Code

12352100

Physical and chemical properties of 1000932-75-1

H Bond Acceptors

2

H Bond Donors

1

LogP

2.465750656

Molecular Formula

C7H6F2O3S

Molecular Weight

208.18

Safety Information of 1000932-75-1

Pictograms

Signal Word

 Warning

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

Applications of 1000932-75-1

2-{[(Difluoromethyl)sulfanyl]methyl}furan-3-carboxylic acid has potential applications in various fields:

  • Pharmaceuticals: Due to its unique structure, it may serve as a lead compound in drug discovery.
  • Agriculture: Compounds with similar structures are often investigated for use as agrochemicals or pesticides.
  • Material Science: Its chemical properties could make it useful in the development of new materials or coatings.

Interaction Studies of 1000932-75-1

Interaction studies for 2-{[(difluoromethyl)sulfanyl]methyl}furan-3-carboxylic acid are essential for understanding its behavior in biological systems and potential therapeutic interactions. Such studies typically involve:

  • Binding Affinity: Assessing how well the compound interacts with specific biological targets (e.g., enzymes or receptors).
  • Toxicity Testing: Evaluating the safety profile of the compound in various biological models.
  • Synergistic Effects: Investigating whether this compound enhances or diminishes the effects of other pharmacological agents.

Biological Activity of 1000932-75-1

While specific biological activity data for 2-{[(difluoromethyl)sulfanyl]methyl}furan-3-carboxylic acid is limited, compounds containing furan rings and sulfur functionalities are often studied for their pharmacological properties. Many furan derivatives exhibit anti-inflammatory, antimicrobial, and anticancer activities. Thus, it is plausible that this compound may possess similar biological properties, warranting further research into its potential therapeutic applications.