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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 | CCOC(=O)C1=C(C2=C(C=CN=C2S1)OC)N=CN(C)C |
|---|---|
| IUPAC Name | ethyl 3-(dimethylaminomethylideneamino)-4-methoxythieno[2,3-b]pyridine-2-carboxylate |
| InChIKey | MFSVYDYRFRBRLC-UHFFFAOYSA-N |
| INCHI | 1S/C14H17N3O3S/c1-5-20-14(18)12-11(16-8-17(2)3)10-9(19-4)6-7-15-13(10)21-12/h6-8H,5H2,1-4H3 |
| Isomeric SMILES | CCOC(=O)C1=C(C2=C(C=CN=C2S1)OC)N=CN(C)C |
| PubChem CID | 2765678 |
| Molecular Weight | 307.37 |
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 Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Formamidines Carboxamidines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyridine - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Pyridine - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Formamidine - Ether - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - 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 | 307.370 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 307.099 Da |
| Monoisotopic Mass | 307.099 Da |
| Topological Polar Surface Area | 92.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 392.000 |
| 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 |