EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:169692 - 4,4'-Thiobis-2-butanone
| Formula | C8H14O2S |
| Net Charge | 0 |
| Average Mass | 174.265 |
| Monoisotopic Mass | 174.07145 |
| SMILES | CC(=O)CCSCCC(C)=O |
| InChI | InChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-6H2,1-2H3 |
| InChIKey | CIBUHUTVSRPCRO-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4,4'-Thiobis-2-butanone (CHEBI:169692) is a ketone (CHEBI:17087) |
| IUPAC Name |
|---|
| 4-(3-oxobutylsulanyl)butan-2-one |
| Manual Xrefs | Databases |
|---|---|
| 55839 | ChemSpider |
| HMDB0037155 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:40790-04-3 | ChemIDplus |