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· · COA & SDS available for every product · Same-day shipping on in-stock items 3，3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one - ≥95% , CAS No.13636-88-9 🧪
Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles CSC(=CC(=O)C1=CC=CC=C1)SC IUPAC Name 3,3-bis(methylsulfanyl)-1-phenylprop-2-en-1-one InChIKey BKRQPGGEQSTJFK-UHFFFAOYSA-N INCHI 1S/C11H12OS2/c1-13-11(14-2)8-10(12)9-6-4-3-5-7-9/h3-8H,1-2H3 Isomeric SMILES CSC(=CC(=O)C1=CC=CC=C1)SC PubChem CID 280923 Molecular Weight 224.34
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 Benzenoids Class Benzene and substituted derivatives Subclass Benzoyl derivatives Intermediate Tree Nodes Not available Direct Parent Benzoyl derivatives Alternative Parents Aryl ketones Vinylogous thioesters Enones Acryloyl compounds Ketene acetals Sulfenyl compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Aryl ketone - Benzoyl - Vinylogous thioester - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Ketene acetal or derivatives - Sulfenyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 224.300 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 224.033 Da Monoisotopic Mass 224.033 Da Topological Polar Surface Area 67.700 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 211.000 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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