3-Octanethiol, thiolacetate
S-octan-3-yl ethanethioate
Also Known As: 3-Octanethiol, thiolacetate|S-octan-3-yl ethanethioate|S-(1-Ethylhexyl) ethanethioate #|Ethanethioic acid, S-(1-ethylhexyl) ester
CAS: 79355-13-8
| Molecular Formula | C10H20OS |
|---|---|
| Molecular Weight | 188.12349 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.12349 |
| Monoisotopic Mass | 188.12349 |
| Heavy Atoms | 12 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 79355-13-8 |
|---|---|
| SMILES | CCCCCC(CC)SC(=O)C |
| InChIKey | CDXPXZLNMUTOBE-UHFFFAOYSA-N |
Product Overview
3-Octanethiol, thiolacetate (CAS 79355-13-8), with molecular formula C10H20OS and molecular weight 188.12349 g/mol. IUPAC: S-octan-3-yl 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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