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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-(4-Chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone , CAS No.307343-39-1
Synonyms
1-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone | MLS000723830 | SMR000305425 | 1-(4-Chlorophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethan-1-one | 1-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone | TimTec1_
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Why this grade 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 Synonyms
1-(4-chlorophenyl)-2-[(5-methyl-1, 3, 4-thiadiazol-2-yl)sulfanyl]ethanone | MLS000723830 | SMR000305425 | 1-(4-Chlorophenyl)-2-((5-methyl-1, 3, 4-thiadiazol-2-yl)thio)ethan-1-one | 1-(4-chlorophenyl)-2-[(5-methyl-1, 3, 4-thiadiazol-2-yl)thio]ethanone | TimTec1_
Product Properties Names and Identifiers Canonical Smiles CC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)Cl IUPAC Name 1-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone InChIKey AWMRCOYYVOFYGS-UHFFFAOYSA-N INCHI 1S/C11H9ClN2OS2/c1-7-13-14-11(17-7)16-6-10(15)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3 Isomeric SMILES CC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)Cl PubChem CID 686457 Molecular Weight 284.8
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 oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Alkylarylthioethers Aryl chlorides Thiadiazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Alkyl-phenylketone - Aryl thioether - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organosulfur compound - Organic oxide - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 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 284.800 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 283.984 Da Monoisotopic Mass 283.984 Da Topological Polar Surface Area 96.400 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 272.000 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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