EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C5H12S |
| Net Charge | 0 |
| Average Mass | 104.218 |
| Monoisotopic Mass | 104.06597 |
| SMILES | CC(C)C(C)S |
| InChI | InChI=1S/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3 |
| InChIKey | BFLXFRNPNMTTAA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Methyl-2-butanethiol (CHEBI:173327) is a alkanethiol (CHEBI:47908) |
| IUPAC Name |
|---|
| 3-methylbutane-2-thiol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0036180 | HMDB |
| 453431 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:2084-18-6 | ChemIDplus |