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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)-

Benzenecarbothioamide, 3-fluoro-4-(trifluoromethyl)-

NC(=S)c1ccc(c(c1)F)C(F)(F)F Request for Quotation
Chemical Name: Benzenecarbothioamide, 3-fluoro-4-(trifluoromethyl)-
CAS Number: 317319-16-7
Product Number: AG00C9FE(AGN-PC-03IANV)
Synonyms:
MDL No:
Molecular Formula: C8H5F4NS
Molecular Weight: 223.1906

Identification/Properties

Properties
MP:
100-102°C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
223.189g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
223.008g/mol
Monoisotopic Mass:
223.008g/mol
Topological Polar Surface Area:
58.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
228
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Fluoro-4-(trifluoromethyl)benzothioamide is a versatile compound widely employed in chemical synthesis for its unique reactivity and functional group compatibility. Its inclusion in synthetic schemes serves a crucial role in contemporary organic chemistry, allowing for the construction of complex molecular structures with precision and efficiency. In particular, this compound is utilized as a key building block in the preparation of diverse heterocyclic compounds and pharmaceutical intermediates. The fluoro and trifluoromethyl substituents enhance the compound's reactivity and alter its physicochemical properties, making it a valuable tool for designing novel chemical entities.leading edge "