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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl thiane-4-carboxylate - ≥97% , CAS No.128094-82-6
Synonyms
A856815 | OCBOIQWPCVXVKT-UHFFFAOYSA-N | SCHEMBL28711 | MFCD09879923 | tetrahydro-thiopyran-4-carboxylic acid methyl ester | FT-0769379 | 2h-thiopyran-4-carboxylic acid,tetrahydro-,methyl ester | methyl tetrahydrothiopyran-4-carboxylate | Methyl tetrahydro
Storage
Store at 2-8°C,Desiccated
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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,Desiccated 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
A856815 | OCBOIQWPCVXVKT-UHFFFAOYSA-N | SCHEMBL28711 | MFCD09879923 | tetrahydro-thiopyran-4-carboxylic acid methyl ester | FT-0769379 | 2h-thiopyran-4-carboxylic acid, tetrahydro-, methyl ester | methyl tetrahydrothiopyran-4-carboxylate | Methyl tetrahydro
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Desiccated
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)C1CCSCC1 IUPAC Name methyl thiane-4-carboxylate InChIKey OCBOIQWPCVXVKT-UHFFFAOYSA-N INCHI 1S/C7H12O2S/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3 Isomeric SMILES COC(=O)C1CCSCC1 Molecular Weight 160.23 Reaxy-Rn 3602922 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3602922&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 Thianes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Thianes Alternative Parents Methyl esters Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteromonocyclic compounds Substituents Thiane - Methyl ester - Carboxylic acid ester - Dialkylthioether - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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 160.240 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 160.056 Da Monoisotopic Mass 160.056 Da Topological Polar Surface Area 51.600 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 119.000 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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