Octanethioic acid, S-methyl ester
S-methyl octanethioate
Also Known As: S-Methyl octanethioate|S-methyl thiocaprylate|S-Methyl thiooctanoate|Octanethioic acid, S-methyl ester|S-methyl octane thioate|S-Methyl octanethioate #|Octanethioic acid S-methyl ester|1-(METHYLSULFANYL)OCTAN-1-ONE
CAS: 2432-83-9
| Molecular Formula | C9H18OS |
|---|---|
| Molecular Weight | 174.10783 g/mol |
| LogP | 3.9 |
| 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 | 2432-83-9 |
|---|---|
| SMILES | CCCCCCCC(=O)SC |
| InChIKey | UKPKZMMTLNIPKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (1 patents)
Pharmaceutical Intermediates (1 patents)
Product Overview
Octanethioic acid, S-methyl ester (CAS 2432-83-9), with molecular formula C9H18OS and molecular weight 174.10783 g/mol. IUPAC: S-methyl octanethioate.
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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