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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 3,3-Bis(methylthio)-2-cyanoacrylate - ≥98%(N) , CAS No.17823-58-4
Synonyms
STL134948 | POABRARINOCORV-UHFFFAOYSA-N | DTXSID90372687 | MFCD00143027 | B1411 | 2-cyano-3,3-bis-methylsulfanyl-acrylic acid ethyl ester | ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate | Ethyl 2-cyano-3,3-bis(methylthio)acrylate | ethyl 2-cyano-3,3-
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Why this grade ≥98%(N) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping 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.
Specifications Synonyms
STL134948 | POABRARINOCORV-UHFFFAOYSA-N | DTXSID90372687 | MFCD00143027 | B1411 | 2-cyano-3, 3-bis-methylsulfanyl-acrylic acid ethyl ester | ethyl 2-cyano-3, 3-bis(methylsulfanyl)prop-2-enoate | Ethyl 2-cyano-3, 3-bis(methylthio)acrylate | ethyl 2-cyano-3, 3-
Specifications & Purity
≥98%(N)
Names and Identifiers Pubchem Sid 488192950 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488192950 Canonical Smiles CCOC(=O)C(=C(SC)SC)C#N IUPAC Name ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate InChIKey POABRARINOCORV-UHFFFAOYSA-N INCHI 1S/C8H11NO2S2/c1-4-11-7(10)6(5-9)8(12-2)13-3/h4H2,1-3H3 Isomeric SMILES CCOC(=O)C(=C(SC)SC)C#N WGK Germany 3 Molecular Weight 217.3 Beilstein 1778720 Reaxy-Rn 1778721 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1778721&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 Organic acids and derivatives Class Vinylogous thioesters Subclass Not available Intermediate Tree Nodes Not available Direct Parent Vinylogous thioesters Alternative Parents Enoate esters Ketene acetals Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Vinylogous thioester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Sulfenyl compound - Nitrile - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as vinylogous thioesters. These are organic compounds containing a thioester group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety. 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 Solubility Soluble in Methanol Melt Point(°C) 58 °C Molecular Weight 217.300 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 5 Exact Mass 217.023 Da Monoisotopic Mass 217.023 Da Topological Polar Surface Area 101.000 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 259.000 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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