≥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)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)N |
|---|---|
| IUPAC Name | ethyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate |
| InChIKey | FFXAIVQIXUTSDE-UHFFFAOYSA-N |
| INCHI | 1S/C17H17N3O2S2/c1-2-22-17(21)20-8-7-10-13(9-20)23-15(18)14(10)16-19-11-5-3-4-6-12(11)24-16/h3-6H,2,7-9,18H2,1H3 |
| Isomeric SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)N |
| PubChem CID | 44116782 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Benzothiazoles 3,4,5-trisubstituted-2-aminothiophenes Benzenoids Thiazoles Heteroaromatic compounds Carbamate esters Tertiary amines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - Thienopyridine - 3,4,5-trisubstituted-2-aminothiophene - 2-aminothiophene - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Carbamic acid ester - Thiophene - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - 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 | 359.500 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 359.076 Da |
| Monoisotopic Mass | 359.076 Da |
| Topological Polar Surface Area | 125.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 481.000 |
| 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-amino-3-(1,3-benzothiazol-2-yl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate - ≥95% , CAS No.1105194-36-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)