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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CN(CC2=C1SC=C2)C(CN)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethanamine |
| InChIKey | PVHXZRZDOGXTPE-UHFFFAOYSA-N |
| INCHI | 1S/C15H18N2S/c16-10-14(12-4-2-1-3-5-12)17-8-6-15-13(11-17)7-9-18-15/h1-5,7,9,14H,6,8,10-11,16H2 |
| Molecular Weight | 258.399 |
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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 | Aralkylamines Pyridines and derivatives Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Trialkylamines Azacyclic compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyridine - Aralkylamine - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organic nitrogen compound - Primary amine - Organonitrogen compound - Primary aliphatic amine - 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 | 258.399 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 258.119 Da |
| Monoisotopic Mass | 258.119 Da |
| Topological Polar Surface Area | 57.500 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 265.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |