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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-(4-chlorophenyl)acetamide , CAS No.A668662
Synonyms
CBKinase1_008571 | CBKinase1_020971 | MLS000581834 | HMS2438A10 | STK003890 | AKOS003680587 | SMR000200436 | SR-01000283074 | SR-01000283074-1 | BRD-K06231993-001-01-7 | 2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-(4-chlorophenyl)acet
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Why this grade 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 Synonyms
CBKinase1_008571 | CBKinase1_020971 | MLS000581834 | HMS2438A10 | STK003890 | AKOS003680587 | SMR000200436 | SR-01000283074 | SR-01000283074-1 | BRD-K06231993-001-01-7 | 2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-(4-chlorophenyl)acet
Product Properties Names and Identifiers Canonical Smiles CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=CC=C(C=C2)Cl)C#N IUPAC Name 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(4-chlorophenyl)acetamide InChIKey ORMHGBWKGUZWPN-UHFFFAOYSA-N INCHI 1S/C14H12ClN5OS2/c1-22-12-10(6-16)13(20-14(17)19-12)23-7-11(21)18-9-4-2-8(15)3-5-9/h2-5H,7H2,1H3,(H,18,21)(H2,17,19,20) Isomeric SMILES CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=CC=C(C=C2)Cl)C#N Molecular Weight 365.9 Reaxy-Rn 18636939 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18636939&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 Benzenoids Class Benzene and substituted derivatives Subclass Anilides Intermediate Tree Nodes Not available Direct Parent Anilides Alternative Parents N-arylamides Alkylarylthioethers Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Nitriles Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Primary amines Molecular Framework Aromatic heteromonocyclic compounds Substituents Anilide - Aryl thioether - N-arylamide - Aminopyrimidine - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Sulfenyl compound - Thioether - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. 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 365.900 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 5 Exact Mass 365.017 Da Monoisotopic Mass 365.017 Da Topological Polar Surface Area 155.000 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 452.000 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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