| Sonrisas canónicas | CSCC1=NN=C(O1)N |
|---|---|
| IUPAC Name | 5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-amine |
| InChIKey | LEHNFAAADXFLCT-UHFFFAOYSA-N |
| INCHI | 1S/C4H7N3OS/c1-9-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7) |
| Isómeros SMILES | CSCC1=NN=C(O1)N |
| PubChem CID | 33680196 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Oxadiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,3,4-oxadiazoles |
| Alternative Parents | Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Dialkylthioethers Azacyclic compounds Primary amines Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,3,4-oxadiazole - Heteroaromatic compound - Thioether - Sulfenyl compound - Dialkylthioether - Azacycle - Oxacycle - Amine - Organic nitrogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1,3,4-oxadiazoles. These are compounds containing an oxadiazole ring with the oxygen and the two nitrogen atoms at positions 1, 3, and 4, respectively. |
| External Descriptors | Not available |
| Peso molecular | 145.190 g/mol |
|---|---|
| XLogP3 | -0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 145.031 Da |
| Monoisotopic Mass | 145.031 Da |
| Topological Polar Surface Area | 90.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 91.900 |
| 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 |
![5-[(Methylthio)methyl]-1,3,4-oxadiazol-2-amine - ≥95% , CAS No.502133-69-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)