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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C(CN)C1=NNC(=S)O1.Cl |
|---|---|
| IUPAC Name | 5-(2-aminoethyl)-3H-1,3,4-oxadiazole-2-thione;hydrochloride |
| InChIKey | XNBZIJXJRABXJX-UHFFFAOYSA-N |
| INCHI | 1S/C4H7N3OS.ClH/c5-2-1-3-6-7-4(9)8-3;/h1-2,5H2,(H,7,9);1H |
| Peso molecular | 181.65 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Clase | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Primary amines |
| Direct Parent | 2-arylethylamines |
| Alternative Parents | Aralkylamines Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organosulfur compounds Organooxygen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-arylethylamine - Aralkylamine - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrochloride - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic group. |
| External Descriptors | Not available |
| Peso molecular | 181.650 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 181.008 Da |
| Monoisotopic Mass | 181.008 Da |
| Topological Polar Surface Area | 91.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 156.000 |
| 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 | 2 |