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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 | COCC1=NN=C(S1)NC(=O)CCl |
|---|---|
| IUPAC Name | 2-chloro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide |
| InChIKey | UWKDIFIAKMCRHR-UHFFFAOYSA-N |
| INCHI | 1S/C6H8ClN3O2S/c1-12-3-5-9-10-6(13-5)8-4(11)2-7/h2-3H2,1H3,(H,8,10,11) |
| Isomeric SMILES | COCC1=NN=C(S1)NC(=O)CCl |
| PubChem CID | 3157445 |
| Molecular Weight | 221.67 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | N-arylamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylamides |
| Alternative Parents | Thiadiazoles Heteroaromatic compounds Chloroacetamides Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-arylamide - Azole - Chloroacetamide - Heteroaromatic compound - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organohalogen compound - Alkyl halide - Alkyl chloride - Organic oxide - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 221.670 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 221.003 Da |
| Monoisotopic Mass | 221.003 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 183.000 |
| 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 |