CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | clear liquid |
|---|---|
| Boiling Point | 212.00 °C. @ 760.00 mm Hg |
| Solubility | insoluble in water; soluble in ethanol and heptane |
| Density | 1.035-1.040 |
| Refractive Index | 1.468-1.475 |
| Kovats Retention Index | 1947 |
COMPUTED DESCRIPTORS
| Molecular Weight | 218.32 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 218.09766561 g/mol |
| Monoisotopic Mass | 218.09766561 g/mol |
| Topological Polar Surface Area | 68.7 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 192 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate is a thiocarboxylic ester.