Thiourea, [2-(trifluoromethyl)phenyl]-


Chemical Name: Thiourea, [2-(trifluoromethyl)phenyl]-
CAS Number: 1736-71-6
Product Number: AG001Z25(AGN-PC-0JVOQQ)
Synonyms:
MDL No:
Molecular Formula: C8H7F3N2S
Molecular Weight: 220.2148

Identification/Properties


Properties
MP:
163-165 °C
BP:
270.34 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
220.213g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
220.028g/mol
Monoisotopic Mass:
220.028g/mol
Topological Polar Surface Area:
70.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
217
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(2-(Trifluoromethyl)phenyl)thiourea, also known as $name$, is a versatile chemical compound widely utilized in chemical synthesis. This compound is renowned for its ability to act as a key reagent in various organic reactions, particularly in the formation of carbon-carbon and carbon-nitrogen bonds.One of the primary applications of $name$ in chemical synthesis is its use as a catalyst in the synthesis of heterocyclic compounds. By leveraging the unique properties of the trifluoromethylphenyl group, this compound aids in the construction of complex molecular structures with high efficiency and selectivity.Moreover, $name$ plays a crucial role in the development of pharmaceuticals and agrochemicals due to its versatile reactivity. Its incorporation into drug design processes enables the creation of novel compounds with enhanced biological activity and improved pharmacokinetic profiles.Additionally, the presence of the thiourea moiety in $name$ imparts valuable properties such as hydrogen bonding capabilities, further expanding its utility in various synthetic methodologies. This feature enables the selective functionalization of molecules and facilitates the manipulation of molecular chirality in asymmetric synthesis.In essence, the application of 1-(2-(Trifluoromethyl)phenyl)thiourea in chemical synthesis represents a cornerstone in modern organic chemistry, offering a powerful tool for the construction of intricate molecular architectures with diverse applications in the field of chemistry.