structure of (Pyridin-2-ylsulfanyl)-acetic acid

(Pyridin-2-ylsulfanyl)-acetic acid

CAS No.: 10002-29-6
M. Wt: 169.20100
M. Fa: C7H7NO2S
InChI Key: IGJFLPNTKLFHMW-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of (Pyridin-2-ylsulfanyl)-acetic acid

CAS Number

10002-29-6

MDL Number

MFCD00276114

IUPAC Name

2-pyridin-2-ylsulfanylacetic acid

InChI

InChI=1S/C7H7NO2S/c9-7(10)5-11-6-3-1-2-4-8-6/h1-4H,5H2,(H,9,10)

InChIKey

IGJFLPNTKLFHMW-UHFFFAOYSA-N

Canonical SMILES

C1=CC=NC(=C1)SCC(=O)O

UNSPSC Code

12352100

Physical and chemical properties of (Pyridin-2-ylsulfanyl)-acetic acid

Boiling Point

349.5ºC at 760 mmHg

Density

1.35 g/cm3

Exact Mass

169.02000

Flash Point

165.2ºC

LogP

1.25830

Melting Point

136-137℃

Molecular Formula

C7H7NO2S

Molecular Weight

169.20100

PSA

75.49000

Storage condition

2-8°C

Safety Information of (Pyridin-2-ylsulfanyl)-acetic acid

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of (Pyridin-2-ylsulfanyl)-acetic acid

(Pyridin-2-ylsulfanyl)-acetic acid has potential applications in various fields:

  • Pharmaceuticals: Due to its biological activity, it may serve as a lead compound in drug development for anti-inflammatory drugs.
  • Agriculture: Its properties might be utilized in developing agrochemicals that target specific pests or diseases.
  • Material Science: The compound could be explored for use in creating novel materials with specific chemical properties.

Interaction Studies of (Pyridin-2-ylsulfanyl)-acetic acid

Interaction studies have shown that (Pyridin-2-ylsulfanyl)-acetic acid can bind to certain enzymes and receptors, influencing their activity. These studies often utilize techniques such as molecular docking and kinetic assays to elucidate binding affinities and mechanisms of action. Understanding these interactions is crucial for developing therapeutic agents based on this compound.

Biological Activity of (Pyridin-2-ylsulfanyl)-acetic acid

Research indicates that (Pyridin-2-ylsulfanyl)-acetic acid exhibits notable biological activities, including anti-inflammatory properties. Its mechanism of action may involve interaction with various molecular targets such as enzymes or receptors, potentially inhibiting their activity or modulating their function. This compound could play a role in signal transduction pathways and metabolic processes, making it of interest in pharmacological studies.

Retrosynthesis analysis of (Pyridin-2-ylsulfanyl)-acetic acid

  • Route#1

    Cas:114086-04-3
    Cas:10002-29-6
  • Route#2

    Cas:109-09-1
    Cas:68-11-1
    Cas:10002-29-6
  • Route#3

    Cas:2637-34-5
    Cas:79-08-3
    Cas:10002-29-6