structure of 4-{[(difluoromethyl)sulfanyl]methyl}benzoic acid

4-{[(difluoromethyl)sulfanyl]methyl}benzoic acid

CAS No.: 1000932-37-5
M. Wt: 218.22
M. Fa: C9H8F2O2S
InChI Key: ZEUCHMOFBNVMSA-UHFFFAOYSA-N

Names and Identifiers of 1000932-37-5

CAS Number

1000932-37-5

MDL Number

MFCD09863443

IUPAC Name

4-{[(difluoromethyl)sulfanyl]methyl}benzoic acid

InChI

InChI=1S/C9H8F2O2S/c10-9(11)14-5-6-1-3-7(4-2-6)8(12)13/h1-4,9H,5H2,(H,12,13)

InChIKey

ZEUCHMOFBNVMSA-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 1000932-37-5

H Bond Acceptors

2

H Bond Donors

1

LogP

3.561411472

Molecular Formula

C9H8F2O2S

Molecular Weight

218.22

Safety Information of 1000932-37-5

Pictograms

Signal Word

 Warning

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

Applications of 1000932-37-5

4-{[(difluoromethyl)sulfanyl]methyl}benzoic acid finds applications in various domains:

  • Medicinal Chemistry: It serves as a building block for developing potential pharmaceutical agents due to its unique chemical properties.
  • Chemical Research: Used as an intermediate in organic synthesis for creating more complex molecules.
  • Material Science: Potential applications in developing new materials with specific properties due to its structural characteristics.

Interaction Studies of 1000932-37-5

Interaction studies involving 4-{[(difluoromethyl)sulfanyl]methyl}benzoic acid may focus on its reactivity with biological macromolecules such as proteins and nucleic acids. These studies can provide insights into its potential therapeutic effects or toxicity profiles. Understanding these interactions is crucial for assessing the safety and efficacy of compounds derived from this structure.