1-Bromo-3-(cyclopropylmethyl)thiobenzene
Names and Identifiers of 1000576-47-5
CAS Number |
1000576-47-5 |
|---|---|
EC Number |
802-631-4 |
MDL Number |
MFCD09870070 |
IUPAC Name |
1-bromo-3-(cyclopropylmethylsulfanyl)benzene |
InChI |
InChI=1S/C10H11BrS/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8H,4-5,7H2 |
InChIKey |
BIDNDPBMKWOGQG-UHFFFAOYSA-N |
Canonical SMILES |
C1CC1CSC2=CC(=CC=C2)Br |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000576-47-5
Exact Mass |
241.97600 |
|---|---|
H Bond Acceptors |
0 |
H Bond Donors |
0 |
LogP |
3.95120 |
Molecular Formula |
C10H11BrS |
Molecular Weight |
243.16300 |
PSA |
25.30000 |
Safety Information of 1000576-47-5
Applications of 1000576-47-5
1-Bromo-3-(cyclopropylmethyl)thiobenzene has various applications across multiple domains:
- Organic Synthesis: It serves as a building block for more complex molecules in organic chemistry.
- Pharmaceutical Research: Its potential as a pharmacophore makes it valuable in drug discovery efforts.
- Material Science: Utilized in the synthesis of specialty chemicals and materials with specific properties.
Interaction Studies of 1000576-47-5
The interaction studies of 1-Bromo-3-(cyclopropylmethyl)thiobenzene focus on its reactivity with biological macromolecules. The bromine atom and the cyclopropylmethyl group contribute to its unique reactivity profile, allowing it to form covalent bonds with nucleophilic sites on target molecules. These interactions may lead to significant biological effects, warranting further exploration in pharmacology.
Similar Compounds: Comparison with Other Compounds1-Bromo-3-(cyclopropylmethyl)thiobenzene can be compared to several similar compounds, highlighting its uniqueness:
| Compound Name | Structural Features | Unique Aspects |
|---|---|---|
| 1-Bromo-3-cyclopropylbenzene | Lacks sulfur atom | Different reactivity due to absence of thiobenzene moiety |
| 3-(Cyclopropylmethyl)thiobenzene | Lacks bromine atom | Affects substitution and coupling reactions |
| 1-Bromo-4-(cyclopropylmethyl)thiobenzene | Positional isomer | Different reactivity based on substituent position |
| 1-Bromo-3-nitrobenzene | Contains a nitro group instead of cyclopropyl | Different chemical properties due to nitro substitution |
| 1-Bromo-3-chlorobenzene | Contains chlorine instead of cyclopropyl | Alters reactivity patterns compared to brominated derivatives |
Biological Activity of 1000576-47-5
Research into the biological activity of 1-Bromo-3-(cyclopropylmethyl)thiobenzene is ongoing. Preliminary studies suggest potential antimicrobial and anticancer properties, making it a candidate for further investigation in drug development. Its interactions with biomolecules may reveal mechanisms that could be harnessed for therapeutic purposes.