1-(Methylthio)-3-octanone
1-methylsulfanyloctan-3-one
Also Known As: 1-(Methylthio)-3-octanone|3-Octanone, 1-methylthio|3-Octanone, 1-(methylthio)-|1-methylsulfanyloctan-3-one|1-(Methylthio)octan-3-one|1-Methyl sulfanyl octan-3-one|C9 H18 O S|1-(METHYLSULFANYL)OCTAN-3-ONE
CAS: 61837-77-2
| Molecular Formula | C9H18OS |
|---|---|
| Molecular Weight | 174.10783 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.10783 |
| Monoisotopic Mass | 174.10783 |
| Heavy Atoms | 11 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 61837-77-2 |
|---|---|
| SMILES | CCCCCC(=O)CCSC |
| InChIKey | VBKCFHVICLIRLW-UHFFFAOYSA-N |
Product Overview
1-(Methylthio)-3-octanone (CAS 61837-77-2), with molecular formula C9H18OS and molecular weight 174.10783 g/mol. IUPAC: 1-methylsulfanyloctan-3-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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