EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H10N2O2S |
| Net Charge | 0 |
| Average Mass | 234.280 |
| Monoisotopic Mass | 234.04630 |
| SMILES | Nc1nc(-c2ccc3c(c2)OCCO3)cs1 |
| InChI | InChI=1S/C11H10N2O2S/c12-11-13-8(6-16-11)7-1-2-9-10(5-7)15-4-3-14-9/h1-2,5-6H,3-4H2,(H2,12,13) |
| InChIKey | QNDNSJKGUGRQDK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiazolamine (CHEBI:103962) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15315 | LINCS |