EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H10N2O2S |
| Net Charge | 0 |
| Average Mass | 222.269 |
| Monoisotopic Mass | 222.04630 |
| SMILES | COC(=O)CSc1nc2ccccc2n1 |
| InChI | InChI=1S/C10H10N2O2S/c1-14-9(13)6-15-10-11-7-4-2-3-5-8(7)12-10/h2-5H,6H2,1H3,(H,11,12) |
| InChIKey | LQNXNSNLYCZSOL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1H-benzimidazol-2-ylthio)acetic acid methyl ester (CHEBI:94018) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4607 | LINCS |