CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | pale yellow liquid with powerful odour |
|---|---|
| Boiling Point | 62.00 to 65.00 °C. @ 2.00 mm Hg |
| Solubility | insoluble in water; soluble in alcohol |
| Density | 1.145-1.150 |
| Refractive Index | 1.610-1.619 |
| Kovats Retention Index | 1303 |
COMPUTED DESCRIPTORS
| Molecular Weight | 156.3 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 156.00674260 g/mol |
| Monoisotopic Mass | 156.00674260 g/mol |
| Topological Polar Surface Area | 50.6 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 67.3 |
| 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
Methyl phenyl disulfide is a natural product found in Allium stipitatum with data available.