| Sonrisas canónicas | CS(=O)(=O)C1=NC=CN1 |
|---|---|
| IUPAC Name | 2-methylsulfonyl-1H-imidazole |
| InChIKey | YNKRJGZPPAUPLQ-UHFFFAOYSA-N |
| INCHI | 1S/C4H6N2O2S/c1-9(7,8)4-5-2-3-6-4/h2-3H,1H3,(H,5,6) |
| Isómeros SMILES | CS(=O)(=O)C1=NC=CN1 |
| CAS alternativo | 27098-98-2 |
| PubChem CID | 99390 |
| Número NSC | 222403 |
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 | Imidazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazoles |
| Alternative Parents | Sulfones Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Sulfonyl - Sulfone - Imidazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms. |
| External Descriptors | Not available |
| Peso molecular | 146.170 g/mol |
|---|---|
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 146.015 Da |
| Monoisotopic Mass | 146.015 Da |
| Topological Polar Surface Area | 71.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 181.000 |
| 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 |
