structure of 4-(Benzylsulfonyl)butanoic acid

4-(Benzylsulfonyl)butanoic acid

CAS No.: 100059-54-9
M. Wt: 242.29100
M. Fa: C11H14O4S
InChI Key: LLDRPAWRVOITSC-UHFFFAOYSA-N

Names and Identifiers of 4-(Benzylsulfonyl)butanoic acid

CAS Number

100059-54-9

MDL Number

MFCD11987038

IUPAC Name

4-benzylsulfonylbutanoic acid

InChI

InChI=1S/C11H14O4S/c12-11(13)7-4-8-16(14,15)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,12,13)

InChIKey

LLDRPAWRVOITSC-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 4-(Benzylsulfonyl)butanoic acid

Exact Mass

242.06100

LogP

2.54700

Molecular Formula

C11H14O4S

Molecular Weight

242.29100

PSA

79.82000

Safety Information of 4-(Benzylsulfonyl)butanoic acid

Pictograms

Signal Word

 Warning

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

Applications of 4-(Benzylsulfonyl)butanoic acid

4-(Benzylsulfonyl)butanoic acid has potential applications in:

  • Pharmaceutical Development: As a precursor or active ingredient in the synthesis of drugs targeting inflammation or bacterial infections.
  • Organic Synthesis: Utilized as an intermediate in the synthesis of more complex organic molecules.
  • Material Science: Potential use in developing polymers or materials with specific functional properties due to its unique chemical structure.

Interaction Studies of 4-(Benzylsulfonyl)butanoic acid

Interaction studies involving 4-(Benzylsulfonyl)butanoic acid focus on its ability to bind with various biological targets, particularly enzymes involved in inflammatory pathways. Investigating its interactions with proteins could reveal insights into its mechanism of action and therapeutic potential.

Retrosynthesis analysis of 4-(Benzylsulfonyl)butanoic acid

  • Route#1

    Cas:100-44-7
    Cas:100059-54-9