| Canonical Smiles | CSC1=NC=C(N=C1)N |
|---|---|
| IUPAC Name | 5-methylsulfanylpyrazin-2-amine |
| InChIKey | IPBKLPYWVRTALX-UHFFFAOYSA-N |
| INCHI | 1S/C5H7N3S/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3,(H2,6,7) |
| Molecular Weight | 141.2 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Aminopyrazines Alkylarylthioethers Imidolactams Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Alkylarylthioether - Aminopyrazine - Imidolactam - Pyrazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 141.200 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 141.036 Da |
| Monoisotopic Mass | 141.036 Da |
| Topological Polar Surface Area | 77.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 88.300 |
| 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 |
