EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C7H13NOS2 |
| Net Charge | 0 |
| Average Mass | 191.321 |
| Monoisotopic Mass | 191.04386 |
| SMILES | CS(=O)CCCCCN=C=S |
| InChI | InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3 |
| InChIKey | IUUQPVQTAUKPPB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-isothiocyanato-5-(methylsulfinyl)pentane (CHEBI:138755) is a sulfoxide (CHEBI:22063) |
| Manual Xrefs | Databases |
|---|---|
| 57643629 | ChemSpider |