EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C8H15NOS2 |
| Net Charge | 0 |
| Average Mass | 205.348 |
| Monoisotopic Mass | 205.05951 |
| SMILES | CS(=O)CCCCCCN=C=S |
| InChI | InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3 |
| InChIKey | XQZVZULJKVALRI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-isothiocyanato-6-(methylsulfinyl)hexane (CHEBI:138799) is a sulfoxide (CHEBI:22063) |
| Synonym | Source |
|---|---|
| 6-(methylsulfinyl)hexyl isothiocyanate | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 7991398 | ChemSpider |
| HMDB0038461 | HMDB |