structure of 5-{[(Difluoromethyl)sulfanyl]methyl}furan-2-carboxylic acid

5-{[(Difluoromethyl)sulfanyl]methyl}furan-2-carboxylic acid

CAS No.: 1000932-45-5
M. Wt: 208.18
M. Fa: C7H6F2O3S
InChI Key: QUJDUFZQRQXIQK-UHFFFAOYSA-N

Names and Identifiers of 1000932-45-5

CAS Number

1000932-45-5

IUPAC Name

5-(difluoromethylsulfanylmethyl)furan-2-carboxylic acid

InChI

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

InChIKey

QUJDUFZQRQXIQK-UHFFFAOYSA-N

Canonical SMILES

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

Physical and chemical properties of 1000932-45-5

Acidity coefficient

3.14±0.10(Predicted)

Boiling Point

317.4±42.0 °C(Predicted)

Density

1.457±0.06 g/cm3(Predicted)

Molecular Formula

C7H6F2O3S

Molecular Weight

208.18

Safety Information of 1000932-45-5

Pictograms

Signal Word

 Warning

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

Applications of 1000932-45-5

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

  • Pharmaceuticals: Due to its unique structure, it may serve as a lead compound in drug discovery efforts targeting various diseases.
  • Agriculture: Compounds with similar structures have been explored for use as agrochemicals or pesticides.
  • Material Science: Its properties could be harnessed in developing new materials or coatings.

Interaction Studies of 1000932-45-5

Interaction studies involving 5-{[(difluoromethyl)sulfanyl]methyl}furan-2-carboxylic acid could focus on its binding affinity with biological macromolecules, such as proteins or nucleic acids. Investigations into its mechanism of action could reveal insights into how it affects cellular pathways or interacts with specific enzymes or receptors.