≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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 | CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)CCl |
|---|---|
| IUPAC Name | ethyl 2-[(2-chloroacetyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate |
| InChIKey | WMOIQBLMYOUIEH-UHFFFAOYSA-N |
| INCHI | 1S/C16H23ClN2O3S/c1-6-22-14(21)11-9-7-15(2,3)19-16(4,5)12(9)23-13(11)18-10(20)8-17/h19H,6-8H2,1-5H3,(H,18,20) |
| Molecular Weight | 358.900 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thienopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyridines |
| Alternative Parents | Thiophene carboxylic acids and derivatives N-arylamides Aralkylamines Vinylogous amides Heteroaromatic compounds Chloroacetamides Secondary carboxylic acid amides Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds Alkyl chlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyridine - Thiophene carboxylic acid or derivatives - N-arylamide - Aralkylamine - Chloroacetamide - Heteroaromatic compound - Vinylogous amide - Thiophene - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alkyl halide - Organopnictogen compound - Alkyl chloride - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Molecular Weight | 358.900 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 358.112 Da |
| Monoisotopic Mass | 358.112 Da |
| Topological Polar Surface Area | 95.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 484.000 |
| 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 |
![Ethyl 2-(2-chloroacetamido)-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate - ≥95% , CAS No.554407-04-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)