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· · COA & SDS available for every product · Same-day shipping on in-stock items S-Furfuryl thioacetate - ≥99% , CAS No.13678-68-7
Synonyms
Ethanethioic Acid S-(2-Furanylmethyl) Ester | Q11317876 | 04ZX16701F | UNII-04ZX16701F | S-(2-Furanylmethyl)ethanethioate, 9CI | SCHEMBL526409 | S-Furfuryl thioacetate, 99% | FEMA No. 3162 | Furfuryl thioacetate | S-(uran-2-ylmethyl) ethanethioate | S-fur
Storage
Argon charged,Room temperature
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Why this grade ≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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.
Overview Furfuryl thioacetate is a sulfur-containing flavor compound mainly found in coffee.
Specifications Synonyms
Ethanethioic Acid S-(2-Furanylmethyl) Ester | Q11317876 | 04ZX16701F | UNII-04ZX16701F | S-(2-Furanylmethyl)ethanethioate, 9CI | SCHEMBL526409 | S-Furfuryl thioacetate, 99% | FEMA No. 3162 | Furfuryl thioacetate | S-(uran-2-ylmethyl) ethanethioate | S-fur
Specifications & Purity
≥99%
Storage
Argon charged, Room temperature
Names and Identifiers Canonical Smiles CC(=O)SCC1=CC=CO1 IUPAC Name S-(furan-2-ylmethyl) ethanethioate InChIKey LQOUTUIIYXYBQW-UHFFFAOYSA-N INCHI 1S/C7H8O2S/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3 Isomeric SMILES CC(=O)SCC1=CC=CO1 WGK Germany 3 Molecular Weight 156.2 Reaxy-Rn 7987329 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7987329&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 Heteroaromatic compounds Subclass Not available Intermediate Tree Nodes Not available Direct Parent Heteroaromatic compounds Alternative Parents Furans Thioesters Carbothioic S-esters Sulfenyl compounds Oxacyclic compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Heteroaromatic compound - Furan - Carbothioic s-ester - Thiocarboxylic acid ester - Oxacycle - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero 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 Sensitivity Moisture sensitive Refractive Index 1.526 Flash Point(°F) 199.4 °F Flash Point(°C) 93 °C Boil Point(°C) 90-92°C Molecular Weight 156.200 g/mol XLogP3 1.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 156.025 Da Monoisotopic Mass 156.025 Da Topological Polar Surface Area 55.500 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 125.000 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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