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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Hydroxy-2-(methylthio)pyrimidine-5-carboxylic acid - ≥97% , CAS No.397308-78-0
Synonyms
397308-78-0|4-HYDROXY-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID|2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylic acid|4-hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylic acid|CHEMBL5089117|2-(Methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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
397308-78-0 | 4-HYDROXY-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID | 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylic acid | 4-hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylic acid | CHEMBL5089117 | 2-(Methylsulfanyl)-6-oxo-1, 6-dihydropyrimidine-5-carboxylic acid
Specifications & Purity
≥97%
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CSC1=NC=C(C(=O)N1)C(=O)O IUPAC Name 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylic acid InChIKey MOAJQWKFKCJUKP-UHFFFAOYSA-N INCHI 1S/C6H6N2O3S/c1-12-6-7-2-3(5(10)11)4(9)8-6/h2H,1H3,(H,10,11)(H,7,8,9) Isomeric SMILES CSC1=NC=C(C(=O)N1)C(=O)O Molecular Weight 186.19 Reaxy-Rn 152290 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=152290&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 Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids 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 - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - 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 Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 186.190 g/mol XLogP3 0.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 186.01 Da Monoisotopic Mass 186.01 Da Topological Polar Surface Area 104.000 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 295.000 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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