structure of 3-Chloro-5-(naphthalen-2-ylsulfonyl)-1,2,4-thiadiazole

3-Chloro-5-(naphthalen-2-ylsulfonyl)-1,2,4-thiadiazole

CAS No.: 1000575-39-2
M. Wt: 310.779
M. Fa: C12H7ClN2O2S2
InChI Key: -

Names and Identifiers of 1000575-39-2

CAS Number

1000575-39-2

IUPAC Name

3-chloranyl-5-naphthalen-2-ylsulfonyl-1,2,4-thiadiazole

Canonical SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3=NC(=NS3)Cl

Physical and chemical properties of 1000575-39-2

Boiling Point

533.7±33.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

309.963745

Flash Point

276.6±25.4 °C

Index of Refraction

1.690

LogP

3.74

Molecular Formula

C12H7ClN2O2S2

Molecular Weight

310.779

Vapour Pressure

0.0±1.4 mmHg at 25°C

Applications of 1000575-39-2

The compound finds applications in various fields:

  • Pharmaceutical Development: Due to its biological activity, it is explored as a lead compound for new drugs targeting infections and inflammation.
  • Material Science: Its unique chemical structure allows for applications in the development of novel materials with specific electronic or optical properties.
  • Agricultural Chemistry: Potential use as a pesticide or herbicide due to its antimicrobial properties.

Interaction Studies of 1000575-39-2

Interaction studies involving 3-Chloro-5-(naphthalen-2-ylsulfonyl)-1,2,4-thiadiazole focus on its binding affinity to biological targets:

  • Molecular Docking Studies: These studies help predict how the compound interacts with enzymes or receptors involved in disease pathways.
  • In Vivo Studies: Animal models are used to evaluate pharmacokinetics and pharmacodynamics, providing insight into its therapeutic potential.

Biological Activity of 1000575-39-2

3-Chloro-5-(naphthalen-2-ylsulfonyl)-1,2,4-thiadiazole has shown potential in various biological assays:

  • Antimicrobial Activity: Compounds containing thiadiazole rings have been reported to exhibit antimicrobial properties against a range of pathogens.
  • Anti-inflammatory Effects: Some derivatives have demonstrated significant anti-inflammatory activity in vitro and in vivo.
  • Anticancer Properties: Research indicates that thiadiazole derivatives can inhibit tumor growth and induce apoptosis in cancer cell lines.