Methyl isobutanethioate
S-methyl 2-methylpropanethioate
Also Known As: S-Methyl 2-methylpropanethioate|Methyl isobutanethioate|FEMA No. 4586|S-methyl thioisobutyrate|Methyl thioisobutyric acid|S-Methyl2-methylpropanethioate|S-methyl 2-methylthiopropionate|Propanethioic acid, 2-methyl-, S-methyl ester|2-methyl-1-(methylsulfanyl)propan-1-one|2-Methylpropanethioic acid S-methyl ester
CAS: 42479-88-9
| Molecular Formula | C5H10OS |
|---|---|
| Molecular Weight | 118.045235 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.045235 |
| Monoisotopic Mass | 118.045235 |
| Heavy Atoms | 7 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 42479-88-9 |
|---|---|
| SMILES | CC(C)C(=O)SC |
| InChIKey | JODNYDRGCYHKRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Food Additives (1 patents)
Heterocyclic Building Blocks (10 patents)
Organic Building Blocks (12 patents)
Pharmaceutical Intermediates (18 patents)
Product Overview
Methyl isobutanethioate (CAS 42479-88-9), with molecular formula C5H10OS and molecular weight 118.045235 g/mol. IUPAC: S-methyl 2-methylpropanethioate.
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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