EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H8OS |
| Net Charge | 0 |
| Average Mass | 140.207 |
| Monoisotopic Mass | 140.02959 |
| SMILES | CC(=O)c1sccc1C |
| InChI | InChI=1S/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3 |
| InChIKey | YBJDKNXEWQSGEL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-Acetyl-3-methylthiophene (CHEBI:173592) is a aromatic ketone (CHEBI:76224) |
| IUPAC Name |
|---|
| 1-(3-methylthiophen-2-yl)ethanone |
| Manual Xrefs | Databases |
|---|---|
| HMDB0041502 | HMDB |
| 75477 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:13679-72-6 | ChemIDplus |