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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=CC=C(C=C1)SCCNC(=O)CCl |
|---|---|
| IUPAC Name | 2-chloro-N-[2-(4-methylphenyl)sulfanylethyl]acetamide |
| InChIKey | MBMIIHXJVPBDLX-UHFFFAOYSA-N |
| INCHI | 1S/C11H14ClNOS/c1-9-2-4-10(5-3-9)15-7-6-13-11(14)8-12/h2-5H,6-8H2,1H3,(H,13,14) |
| Peso molecular | 243.75 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Clase | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Thiophenol ethers Toluenes Alkylarylthioethers Chloroacetamides Secondary carboxylic acid amides Sulfenyl compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl thioether - Thiophenol ether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Chloroacetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Sulfenyl compound - Organic oxide - Organic oxygen compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 243.750 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 243.048 Da |
| Monoisotopic Mass | 243.048 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |