structure of 3-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]aniline

3-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]aniline

CAS No.: 1000933-40-3
M. Wt: 206.2700043
M. Fa: C9H10N4S
InChI Key: DJVPKYSXTNUDLL-UHFFFAOYSA-N

Names and Identifiers of 1000933-40-3

CAS Number

1000933-40-3

MDL Number

MFCD09971503

IUPAC Name

3-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]aniline

InChI

InChI=1S/C9H10N4S/c1-14-9-12-11-6-13(9)8-4-2-3-7(10)5-8/h2-6H,10H2,1H3

InChIKey

DJVPKYSXTNUDLL-UHFFFAOYSA-N

Canonical SMILES

CSC1=NN=CN1C1=CC=CC(N)=C1

UNSPSC Code

12352100

Physical and chemical properties of 1000933-40-3

H Bond Acceptors

3

H Bond Donors

1

LogP

1.25949983633333

Molecular Formula

C9H10N4S

Molecular Weight

206.2700043

Safety Information of 1000933-40-3

Pictograms

Signal Word

 Warning

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

Applications of 1000933-40-3

3-[3-(Methylsulfanyl)-4H-1,2,4-triazol-4-yl]aniline has potential applications in various fields:

  • Pharmaceutical Development: Its unique structure makes it a candidate for developing new antimicrobial or antifungal agents.
  • Material Science: It may serve as a building block for synthesizing advanced materials such as organic semiconductors or dyes.
  • Biological Research: Investigated for its role in biochemical pathways and potential therapeutic effects against resistant strains of pathogens.

Interaction Studies of 1000933-40-3

Studies on interaction mechanisms reveal that 3-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]aniline may interact with various biological targets. Its triazole moiety allows it to bind effectively to enzyme active sites or receptor sites, potentially leading to inhibition or modulation of biological pathways. Understanding these interactions is crucial for elucidating its pharmacological profiles and therapeutic potentials.

Biological Activity of 1000933-40-3

Research indicates that compounds containing triazole rings exhibit significant biological activities, including antimicrobial and antifungal properties. The specific biological activity of 3-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]aniline may be linked to its ability to inhibit specific enzymes or receptors in pathogens. Triazoles are known to inhibit lanosterol 14α-demethylase, an enzyme critical for ergosterol biosynthesis in fungi, which disrupts cell membrane integrity.