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· · COA & SDS available for every product · Same-day shipping on in-stock items 5-Methoxy-2-sulfanyl-4-pyrimidinol - ≥97% , CAS No.6939-11-3
Synonyms
A900740 | 2-Mercapto-5-methoxypyrimidin-4-ol | AKOS005070237 | EN300-85914 | 5-Methoxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one | TD8037 | 5-(methoxy)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone | 5-methoxy-2-sulfanylidene-1H-pyrimidin-4-one | Z1201619066 | SB
Storage
Room temperature,Argon charged
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Argon charged 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
A900740 | 2-Mercapto-5-methoxypyrimidin-4-ol | AKOS005070237 | EN300-85914 | 5-Methoxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one | TD8037 | 5-(methoxy)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone | 5-methoxy-2-sulfanylidene-1H-pyrimidin-4-one | Z1201619066 | SB
Specifications & Purity
≥97%
Storage
Room temperature,Argon charged
Names and Identifiers Canonical Smiles
COC1=CNC(=S)NC1=O
IUPAC Name
5-methoxy-2-sulfanylidene-1H-pyrimidin-4-one
InChIKey
CDFYFTSELDPCJA-UHFFFAOYSA-N
INCHI
1S/C5H6N2O2S/c1-9-3-2-6-5(10)7-4(3)8/h2H,1H3,(H2,6,7,8,10)
Isomeric SMILES
COC1=CNC(=S)NC1=O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125493&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 Not available Direct Parent Pyrimidones Alternative Parents Pyrimidinethiones Alkyl aryl ethers 2-Thiopyrimidines Hydropyrimidines Vinylogous amides Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Alkyl aryl ether - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 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 158.180 g/mol XLogP3 -0.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 158.015 Da Monoisotopic Mass 158.015 Da Topological Polar Surface Area 82.500 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 212.000 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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