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· · COA & SDS available for every product · Same-day shipping on in-stock items N-(4-((4-Chloro-6-((5-methyl-1H-pyrazol-3-yl)amino)pyrimidin-2-yl)thio)phenyl)cyclopropanecarboxamide - ≥95% , CAS No.639090-55-4 🧪
Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)Cl IUPAC Name N-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide InChIKey ULVNROIYQBQKBP-UHFFFAOYSA-N INCHI 1S/C18H17ClN6OS/c1-10-8-16(25-24-10)22-15-9-14(19)21-18(23-15)27-13-6-4-12(5-7-13)20-17(26)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,26)(H2,21,22,23,24,25) Isomeric SMILES CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)Cl PubChem CID 24747174 Molecular Weight 400.9
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 Organosulfur compounds Class Thioethers Subclass Aryl thioethers Intermediate Tree Nodes Not available Direct Parent Diarylthioethers Alternative Parents Anilides Thiophenol ethers N-arylamides Aminopyrimidines and derivatives Halopyrimidines Aryl chlorides Cyclopropanecarboxylic acids and derivatives Imidolactams Pyrazoles Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Secondary amines Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organochlorides Organic oxides Molecular Framework Aromatic heteromonocyclic compounds Substituents Diarylthioether - Anilide - N-arylamide - Thiophenol ether - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Imidolactam - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organohalogen compound - Organochloride - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. 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 Molecular Weight 400.900 g/mol XLogP3 4.100 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 6 Exact Mass 400.087 Da Monoisotopic Mass 400.087 Da Topological Polar Surface Area 121.000 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 516.000 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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