EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H9NS |
| Net Charge | 0 |
| Average Mass | 127.212 |
| Monoisotopic Mass | 127.04557 |
| SMILES | C=CCCCN=C=S |
| InChI | InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2 |
| InChIKey | DBISBKDNOKIADM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-isothiocyanato-1-pentene (CHEBI:138749) is a isothiocyanate (CHEBI:52221) |
| Manual Xrefs | Databases |
|---|---|
| 78870 | ChemSpider |
| HMDB0034300 | HMDB |