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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate - ≥97% , CAS No.4160-61-6
Synonyms
C7H10O3S | 2,3,5,6-tetrahydro-3-carbomethoxythiopyran-4-one | SCHEMBL2904103 | Methyl 4-oxotetrahydrothiopyran-3-carboxylate | MCUXKFHPGMEIIW-UHFFFAOYSA-N | AM803878 | 4-Oxotetrahydro-2H-thiopyran-3-carbonsauremethylester | DTXSID40438848 | A854157 | EN30
Storage
Store at 2-8°C,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 Store at 2-8°C,Argon charged 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
C7H10O3S | 2, 3, 5, 6-tetrahydro-3-carbomethoxythiopyran-4-one | SCHEMBL2904103 | Methyl 4-oxotetrahydrothiopyran-3-carboxylate | MCUXKFHPGMEIIW-UHFFFAOYSA-N | AM803878 | 4-Oxotetrahydro-2H-thiopyran-3-carbonsauremethylester | DTXSID40438848 | A854157 | EN30
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles COC(=O)C1CSCCC1=O IUPAC Name methyl 4-oxothiane-3-carboxylate InChIKey MCUXKFHPGMEIIW-UHFFFAOYSA-N INCHI 1S/C7H10O3S/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3 Isomeric SMILES COC(=O)C1CSCCC1=O Alternate CAS 4160-61-6 PubChem CID 10374916 Molecular Weight 174.21
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 Thianes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Thianes Alternative Parents 1,3-dicarbonyl compounds Methyl esters Cyclic ketones Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic heteromonocyclic compounds Substituents Thiane - 1,3-dicarbonyl compound - Methyl ester - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Thioether - Dialkylthioether - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as thianes. These are heterocyclic compounds containing a saturated six-member ring with five carbon atoms and one sulfur atom. 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 174.220 g/mol XLogP3 0.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 174.035 Da Monoisotopic Mass 174.035 Da Topological Polar Surface Area 68.700 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 179.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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