COMPUTED DESCRIPTORS
| Molecular Weight | 188.33 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 188.12348643 g/mol |
| Monoisotopic Mass | 188.12348643 g/mol |
| Topological Polar Surface Area | 42.4 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 112 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
S-octyl ethanethioate is a thioacetate ester of octane-1-thiol. It has a role as a metabolite.