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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)-

4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

OCCCCN1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N Request for Quotation
Chemical Name: 4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CAS Number: 155180-53-3
Product Number: AG001NOX(AGN-PC-09YYFR)
Synonyms:
MDL No: MFCD00925775
Molecular Formula: C17H18F3N3O2S
Molecular Weight: 385.4039

Identification/Properties

Properties
BP:
499.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
385.405g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
385.107g/mol
Monoisotopic Mass:
385.107g/mol
Topological Polar Surface Area:
99.7A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
614
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


In chemical synthesis, 4-(3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile serves as a versatile building block for the creation of complex organic molecules. This compound can be utilized as a key intermediate in the development of pharmaceuticals, agrochemicals, and materials due to its unique structural features and reactivity. Its trifluoromethyl and benzonitrile groups enable it to participate in various synthetic transformations, allowing for the introduction of these functional groups into target molecules. Additionally, the presence of the imidazolidin-1-yl moiety offers potential for forming diverse chemical bonds and scaffolds, further expanding the compound's utility in designing novel compounds with desired properties.