CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 47.00 °C. @ 0.80 mm Hg |
| Melting Point | < 25 °C |
| Solubility | slightly |
| Density | 0.975-0.985 |
| Refractive Index | 1.593-1.603 |
| Kovats Retention Index | 1112 1116 1130 1120 1132 1110 1126 1120 1100 |
COMPUTED DESCRIPTORS
| Molecular Weight | 152.3 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 151.97881378 g/mol |
| Monoisotopic Mass | 151.97881378 g/mol |
| Topological Polar Surface Area | 75.9 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 44.2 |
| 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
Allyl methyl trisulfide is a natural product found in Allium chinense, Mansoa alliacea, and other organisms with data available.