1-isothiocyanato-2-methyl-3-(trifluoromethyl)benzene
Names and Identifiers of 1000577-12-7
CAS Number |
1000577-12-7 |
|---|---|
MDL Number |
MFCD09800792 |
IUPAC Name |
1-isothiocyanato-2-methyl-3-(trifluoromethyl)benzene |
InChI |
InChI=1S/C9H6F3NS/c1-6-7(9(10,11)12)3-2-4-8(6)13-5-14/h2-4H,1H3 |
InChIKey |
BIBIVOJGQBWOHL-UHFFFAOYSA-N |
Canonical SMILES |
CC1=C(N=C=S)C=CC=C1C(F)(F)F |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000577-12-7
Exact Mass |
217.01700 |
|---|---|
LogP |
3.74810 |
Molecular Formula |
C9H6F3NS |
Molecular Weight |
217.21100 |
PSA |
44.45000 |
Safety Information of 1000577-12-7
Applications of 1000577-12-7
2-Methyl-3-(trifluoromethyl)phenylisothiocyanate finds applications in several areas:
- Organic Synthesis: It serves as a reagent for producing thioureas and other sulfur-containing compounds.
- Biological Research: Used in proteomics and biochemical studies to modify proteins and peptides.
- Material Science: Employed in the derivatization of surfaces for sensor applications due to its reactive nature.
Interaction Studies of 1000577-12-7
Studies on interaction mechanisms involving 2-Methyl-3-(trifluoromethyl)phenylisothiocyanate have focused on its binding affinities with various biological targets. It has been shown to interact with proteins through covalent modifications, influencing their activity and stability. This property is particularly useful in drug design and development, where selective targeting of proteins can lead to therapeutic benefits.
Biological Activity of 1000577-12-7
Research indicates that 2-Methyl-3-(trifluoromethyl)phenylisothiocyanate exhibits notable biological activities. It has shown potential as an antimicrobial agent and has been investigated for its effects on various cancer cell lines. The trifluoromethyl substitution enhances its lipophilicity, which may improve its bioavailability and interaction with biological membranes. Additionally, studies suggest that it may have inhibitory effects on certain enzymes involved in cancer progression.
Cas:54396-44-0
