Skip to main content

2-ethyl-3-[4-(trifluoromethyl)phenyl]isothiourea

ADVERTISEMENT
Identification
Molecular formula
C11H13F3N2S
CAS number
393-11-9
IUPAC name
2-ethyl-3-[4-(trifluoromethyl)phenyl]isothiourea
State
State

At room temperature, 2-ethyl-3-[4-(trifluoromethyl)phenyl]isothiourea is in a solid state, typically encountered as a powder or small crystals, often white to light yellow in color.

Melting point (Celsius)
92.00
Melting point (Kelvin)
365.15
Boiling point (Celsius)
278.00
Boiling point (Kelvin)
551.15
General information
Molecular weight
250.28g/mol
Molar mass
250.2840g/mol
Density
1.3830g/cm3
Appearence

2-Ethyl-3-[4-(trifluoromethyl)phenyl]isothiourea typically appears as a crystalline solid. The presence of the trifluoromethyl group often imparts a unique characteristic to the crystal structure, leading to distinct reflections under polarized light.

Comment on solubility

Solubility of 2-ethyl-3-[4-(trifluoromethyl)phenyl]isothiourea

The compound 2-ethyl-3-[4-(trifluoromethyl)phenyl]isothiourea, with the chemical formula C11H13F3N2S, exhibits distinct solubility characteristics due to its unique molecular structure. Understanding its solubility can be crucial for applications in various chemical and biological contexts.

Key Points on Solubility:

  • Polarity: The presence of fluorine atoms typically enhances polarity, which may influence its solubility in polar solvents.
  • Functional Groups: The isothiourea group can enhance solubility in water, while the ethyl and phenyl groups can create hydrophobic interactions that may limit its solubility in non-polar solvents.
  • Temperature Effects: As with many organic compounds, solubility is likely to increase with temperature, which can be a vital consideration during practical applications.
  • Solvent Selection: The solubility may vary significantly with different solvents; thus, selecting appropriate solvents (e.g., water, alcohols, or organic solvents) can optimize its dissolving capacity.

In summary, while the solubility of 2-ethyl-3-[4-(trifluoromethyl)phenyl]isothiourea can be quite variable, it showcases a blend of hydrophilic and hydrophobic properties influenced by its structure. Careful consideration of solvent systems will enable better utilization of this compound in various applications.

Interesting facts

Interesting Facts about 2-Ethyl-3-[4-(trifluoromethyl)phenyl]isothiourea

2-Ethyl-3-[4-(trifluoromethyl)phenyl]isothiourea is a fascinating compound with unique properties and applications in various fields. Here are some intriguing points to consider:

  • Versatile Chemical Structure: This compound features a complex structure that includes an isothiourea moiety, which is significant in medicinal chemistry. Isothioureas are known for their biological activities, making this compound a subject of interest for pharmacological studies.
  • Fluorine's Role: The presence of the trifluoromethyl group (-CF3) significantly enhances the compound's lipophilicity. Fluorinated compounds often exhibit improved metabolic stability and altered biological activity compared to their non-fluorinated counterparts.
  • Biological Activity: Isothioureas, including this compound, have demonstrated various pharmacological properties, such as antifungal, anticancer, and antiviral activities. Researchers continue to explore their potential in drug development and agricultural applications.
  • Environmental Impact: Due to its trifluoromethyl group, this compound can also be of interest within environmental chemistry. The stability and persistence of fluorinated compounds in the environment raise questions and prompt investigations into their ecological effects.
  • Research Applications: This compound can serve as a valuable tool in synthetic chemistry and materials science. Its unique structural features enable it to be utilized in varied reactions, offering pathways to synthesize other complex molecules.

In summary, 2-ethyl-3-[4-(trifluoromethyl)phenyl]isothiourea is not just another compound; its unique structure and properties make it a noteworthy subject for ongoing research across multiple scientific disciplines. Its potential implications in pharmacology and environmental studies highlight the importance of exploring chemical compounds to discover new applications and insights.

Synonyms
S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA
163490-40-2
S-Ethyl tfmp-isothiourea
S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea
ethyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate
CHEMBL323542
DTXSID00167602
Carbamimidothioic acid, (4-(trifluoromethyl)phenyl)-, ethyl ester
CHEMBL542855
S-Ethyl-N-(4-(Trifluoromethyl)Phenyl)Isothiourea
(E)-N'-(4-(trifluoromethyl)phenyl)(ethylsulfanyl)methanimidamide
(E)-N'-[4-(trifluoromethyl)phenyl](ethylsulfanyl)methanimidamide
Ethyl (4-(trifluoromethyl)phenyl)carbamimidothioate
TFMPITU
Lopac-T-7188
Lopac0_001170
(S)-Ethyl N-[4-(trifluoromethyl)phenyl]Isothiourea
SCHEMBL4317540
DTXCID0090093
LCMOXIFARISMOH-UHFFFAOYSA-N
BDBM50058464
BDBM50626254
CCG-205244
DB02991
NCGC00016044-01
PD007473
NS00069500
ethyl 4-(trifluoromethyl)phenylcarbamimidothioate
ethyl N'-[4-(trifluoromethyl)phenyl]imidothiocarbamate
Q27093963
2-Ethyl-1-(4-trifluoromethyl-phenyl)-isothiourea; hydrochloride