EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C13H17NO2S |
| Net Charge | 0 |
| Average Mass | 251.351 |
| Monoisotopic Mass | 251.09800 |
| SMILES | COc1cccc(C(=S)N2CCCC2)c1OC |
| InChI | InChI=1S/C13H17NO2S/c1-15-11-7-5-6-10(12(11)16-2)13(17)14-8-3-4-9-14/h5-7H,3-4,8-9H2,1-2H3 |
| InChIKey | WHKMWQRRXMPGCN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2,3-dimethoxyphenyl)-(1-pyrrolidinyl)methanethione (CHEBI:107031) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18385 | LINCS |