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· · COA & SDS available for every product · Same-day shipping on in-stock items 1,4-Dihydro-2-(methylthio)-4-oxo-5-pyrimidinecarboxylic acid ethyl ester - ≥95% , CAS No.53554-29-3
Synonyms
ethyl 2-(methylthio)-4-oxo-1,4-dihydropyrimidine-5-carboxylate | GS-5926 | PotassiumPhenyltrifluoroborate | 4-(Dimethylamino)azorenzene-4'-sulfonyl chloride | 4-hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester | MLS002153238 | Ethyl 2-(m
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Why this grade ≥95% 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
ethyl 2-(methylthio)-4-oxo-1, 4-dihydropyrimidine-5-carboxylate | GS-5926 | PotassiumPhenyltrifluoroborate | 4-(Dimethylamino)azorenzene-4'-sulfonyl chloride | 4-hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester | MLS002153238 | Ethyl 2-(m
Specifications & Purity
≥95%
Names and Identifiers Pubchem Sid 488188913 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488188913 Canonical Smiles CCOC(=O)C1=CN=C(NC1=O)SC IUPAC Name ethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate InChIKey HDIWKNXVBQPJCO-UHFFFAOYSA-N INCHI 1S/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11) Isomeric SMILES CCOC(=O)C1=CN=C(NC1=O)SC Molecular Weight 214.24 Reaxy-Rn 171059 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=171059&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 Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Pyrimidinecarboxylic acids and derivatives Direct Parent Pyrimidinecarboxylic acids Alternative Parents Hydropyrimidine carboxylic acids and derivatives Pyrimidones Alkylarylthioethers Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Hydropyrimidine carboxylic acid derivative - Pyrimidine-5-carboxylic acid - Aryl thioether - Pyrimidone - Alkylarylthioether - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 214.240 g/mol XLogP3 0.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 214.041 Da Monoisotopic Mass 214.041 Da Topological Polar Surface Area 93.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 323.000 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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