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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile - ≥97% , CAS No.155180-53-3
Synonyms
155180-53-3|4-(3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile|4-[3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile|RU-59063|RU 59063|3LRS7FXN3G|RU59063|CHEMBL
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
155180-53-3 | 4-(3-(4-Hydroxybutyl)-4, 4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile | 4-[3-(4-Hydroxybutyl)-4, 4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile | RU-59063 | RU 59063 | 3LRS7FXN3G | RU59063 | CHEMBL
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC1(C(=O)N(C(=S)N1CCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C IUPAC Name 4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile InChIKey FIDNKDVRTLFETI-UHFFFAOYSA-N INCHI 1S/C17H18F3N3O2S/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3 Isomeric SMILES CC1(C(=O)N(C(=S)N1CCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C Molecular Weight 385.4 Reaxy-Rn 8723613 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8723613&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Azolidines Subclass Imidazolidines Intermediate Tree Nodes Not available Direct Parent Phenylimidazolidines Alternative Parents Trifluoromethylbenzenes Alpha amino acids and derivatives N-phenylthioureas Benzonitriles Imidazolidinones Thioureas Nitriles Alkanolamines Azacyclic compounds Organofluorides Organic oxides Primary alcohols Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylimidazolidine - Alpha-amino acid or derivatives - N-phenylthiourea - Trifluoromethylbenzene - Benzonitrile - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Thiourea - Azacycle - Carboxylic acid derivative - Alkanolamine - Carbonitrile - Nitrile - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Primary alcohol - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 385.400 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 5 Exact Mass 385.107 Da Monoisotopic Mass 385.107 Da Topological Polar Surface Area 99.700 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 614.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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