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· · COA & SDS available for every product · Same-day shipping on in-stock items WAY-119574 - ≥97% , CAS No.25561-81-3 🧪
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.
Overview altering the lifespan of a eukaryotic organism; repellent properties;
Specifications Specifications & Purity
≥97%
Product Properties ALogP 4.65 HBD Count 1 Rotatable Bond 3
Names and Identifiers Pubchem Sid 504760009 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504760009 Canonical Smiles C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)C3=CC=CC=C3 IUPAC Name N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide InChIKey IHEOHRXLPNPFTP-UHFFFAOYSA-N INCHI 1S/C17H16N2OS/c20-16(14-8-2-1-3-9-14)18-17(21)19-12-6-10-13-7-4-5-11-15(13)19/h1-5,7-9,11H,6,10,12H2,(H,18,20,21) Isomeric SMILES C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)C3=CC=CC=C3 PubChem CID 728720 Molecular Weight 296.39
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 Quinolines and derivatives Subclass Hydroquinolines Intermediate Tree Nodes Not available Direct Parent Hydroquinolines Alternative Parents Benzoic acids and derivatives Benzoyl derivatives Thioureas Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Tetrahydroquinoline - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Thiourea - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms. 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties DMSO(mM) Max Solubility 10 Molecular Weight 296.400 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 296.098 Da Monoisotopic Mass 296.098 Da Topological Polar Surface Area 64.400 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 392.000 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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