Acetic acid, thio-, S-hexyl ester
S-hexyl ethanethioate
Also Known As: acetylhexyl sulfide|S-Hexyl ethanethioate|S-Hexyl ethanethioate #|Thioacetic acid S-hexyl ester|1-(hexylsulfanyl)ethan-1-one|Ethanethioic acid, S-hexyl ester|Acetic acid, thio-, S-hexyl ester
CAS: 2307-12-2
| Molecular Formula | C8H16OS |
|---|---|
| Molecular Weight | 160.0922 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.0922 |
| Monoisotopic Mass | 160.0922 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 2307-12-2 |
|---|---|
| SMILES | CCCCCCSC(=O)C |
| InChIKey | UVOBMCVOACVTNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (2 patents)
Organic Building Blocks (2 patents)
Product Overview
Acetic acid, thio-, S-hexyl ester (CAS 2307-12-2), with molecular formula C8H16OS and molecular weight 160.0922 g/mol. IUPAC: S-hexyl ethanethioate.
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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