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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Canonical Smiles | CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)CCl.Cl |
|---|---|
| IUPAC Name | 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride |
| InChIKey | HYEMUAGRLCUIDL-UHFFFAOYSA-N |
| INCHI | 1S/C13H13ClN2OS.ClH/c1-9-2-4-10(5-3-9)15-12(17)6-13-16-11(7-14)8-18-13;/h2-5,8H,6-7H2,1H3,(H,15,17);1H |
| Isomeric SMILES | CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)CCl.Cl |
| PubChem CID | 15945249 |
| Molecular Weight | 280.773646 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anilides |
| Alternative Parents | N-arylamides Toluenes 2,4-disubstituted thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Anilide - N-arylamide - 2,4-disubstituted 1,3-thiazole - Toluene - Azole - Thiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Alkyl chloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Alkyl halide - Hydrochloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. |
| External Descriptors | Not available |
| Molecular Weight | 317.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 316.02 Da |
| Monoisotopic Mass | 316.02 Da |
| Topological Polar Surface Area | 70.200 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 282.000 |
| 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 | 2 |