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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzenethiol, 4-(trifluoromethoxy)-

FC(Oc1ccc(cc1)S)(F)F Request for Quotation
Chemical Name: Benzenethiol, 4-(trifluoromethoxy)-
CAS Number: 169685-29-4
Product Number: AG0033U5(AGN-PC-0KKY6F)
Synonyms:
MDL No:
Molecular Formula: C7H5F3OS
Molecular Weight: 194.1742

Identification/Properties

Properties
BP:
64-66°C 15mm
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Stability:
Air Sensitive/Stench
Refractive Index:
1.4745
Computed Properties
Molecular Weight:
194.171g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
194.001g/mol
Monoisotopic Mass:
194.001g/mol
Topological Polar Surface Area:
10.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
140
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-(Trifluoromethoxy)benzenethiol, also known as TFMBT, is a versatile building block in chemical synthesis widely utilized for its unique properties and reactivity. TFMBT serves as a valuable reagent in the construction of various organic molecules, particularly in the pharmaceutical and agrochemical industries.One prominent application of TFMBT in chemical synthesis is its role as a thiol reagent for the introduction of a trifluoromethoxy group into organic molecules. This substitution reaction is highly valuable in the modification of aromatic and heterocyclic compounds, imparting enhanced physicochemical properties such as increased lipophilicity and metabolic stability.Moreover, TFMBT can act as a nucleophilic coupling partner in C–S cross-coupling reactions, leading to the formation of biaryl compounds. These biaryl motifs are prevalent in natural products and pharmaceuticals, making TFMBT a valuable tool for the synthesis of diverse bioactive molecules.Furthermore, TFMBT can participate in cascade reactions and multi-step syntheses, facilitating the rapid assembly of complex molecular frameworks. Its unique electron-donating trifluoromethoxy group provides a strategic advantage in the design of drug candidates and materials with desired properties.In summary, 4-(Trifluoromethoxy)benzenethiol plays a crucial role in modern chemical synthesis by offering a versatile platform for the construction of diverse organic compounds with enhanced functionalities and applications in drug discovery and material science.