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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C(C#N)S(=O)(=O)CC#N |
|---|---|
| IUPAC Name | 2-(cyanomethylsulfonyl)acetonitrile |
| InChIKey | NNVQUTWFTPKDBS-UHFFFAOYSA-N |
| INCHI | 1S/C4H4N2O2S/c5-1-3-9(7,8)4-2-6/h3-4H2 |
| Isómeros SMILES | C(C#N)S(=O)(=O)CC#N |
| PubChem CID | 142163 |
| Peso molecular | 144.15 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Clase | Sulfonyls |
| Subclass | Sulfones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfones |
| Alternative Parents | Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Sulfone - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms. |
| External Descriptors | Not available |
| Peso molecular | 144.150 g/mol |
|---|---|
| XLogP3 | -0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 143.999 Da |
| Monoisotopic Mass | 143.999 Da |
| Topological Polar Surface Area | 90.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 243.000 |
| 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 |