EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H12N2O2S |
| Net Charge | 0 |
| Average Mass | 212.274 |
| Monoisotopic Mass | 212.06195 |
| SMILES | O=[N+]([O-])c1ccc(N2CCCCC2)s1 |
| InChI | InChI=1S/C9H12N2O2S/c12-11(13)9-5-4-8(14-9)10-6-2-1-3-7-10/h4-5H,1-3,6-7H2 |
| InChIKey | AHXNCGUEOCEZLI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(5-nitro-2-thiophenyl)piperidine (CHEBI:121793) is a C-nitro compound (CHEBI:35716) |
| 1-(5-nitro-2-thiophenyl)piperidine (CHEBI:121793) is a thiophenes (CHEBI:26961) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33236 | LINCS |