CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1317.8 1306 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 143.25 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 143.07687059 g/mol |
| Monoisotopic Mass | 143.07687059 g/mol |
| Topological Polar Surface Area | 49.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 92.3 |
| 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
Hexanenitrile, 6-(methylthio)- is a natural product found in Aurinia sinuata, Brassica napus, and Brassica rapa with data available.