EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H21NOS2 |
| Net Charge | 0 |
| Average Mass | 247.429 |
| Monoisotopic Mass | 247.10646 |
| SMILES | CS(=O)CCCCCCCCCN=C=S |
| InChI | InChI=1S/C11H21NOS2/c1-15(13)10-8-6-4-2-3-5-7-9-12-11-14/h2-10H2,1H3 |
| InChIKey | MQFLXLMNOHHPTC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-isothiocyanato-9-(methylsulfinyl)nonane (CHEBI:138768) is a sulfoxide (CHEBI:22063) |
| Manual Xrefs | Databases |
|---|---|
| 8096856 | ChemSpider |