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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)-

2(1H)-Pyridinethione, 5-(trifluoromethyl)-

S=c1ccc(c[nH]1)C(F)(F)F Request for Quotation
Chemical Name: 2(1H)-Pyridinethione, 5-(trifluoromethyl)-
CAS Number: 76041-72-0
Product Number: AG003HI3(AGN-PC-0KKWQ7)
Synonyms:
MDL No:
Molecular Formula: C6H4F3NS
Molecular Weight: 179.1629

Identification/Properties

Properties
MP:
154-159 °C(lit.)
BP:
143.5 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
179.16g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
179.002g/mol
Monoisotopic Mass:
179.002g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
239
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


5-(Trifluoromethyl)pyridine-2(1H)-thione is a versatile building block widely used in chemical synthesis for its unique reactivity and functional group compatibility. Its incorporation in organic reactions allows for the introduction of a trifluoromethyl group, a valuable motif in medicinal chemistry and material science. This compound is particularly valued for its role in the construction of complex molecules, such as pharmaceuticals and agrochemicals, where the trifluoromethyl group can enhance biological activity or alter physicochemical properties. Additionally, 5-(Trifluoromethyl)pyridine-2(1H)-thione serves as a valuable precursor for the synthesis of heterocyclic compounds, providing a key structural unit that can be further modified to generate diverse molecular scaffolds with unique properties and functions. Its utility in chemical synthesis extends to the development of new materials, catalysts, and bioactive compounds, demonstrating its significance in advancing the field of organic chemistry.