EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H13NO2S |
| Net Charge | 0 |
| Average Mass | 247.319 |
| Monoisotopic Mass | 247.06670 |
| SMILES | CCOC(=O)c1sc(-c2ccccc2)cc1N |
| InChI | InChI=1S/C13H13NO2S/c1-2-16-13(15)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3 |
| InChIKey | ALFMTFUIVUKCCM-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-amino-5-phenyl-2-thiophenecarboxylic acid ethyl ester (CHEBI:121667) is a thiophenecarboxylic acid (CHEBI:48436) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33110 | LINCS |