CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid with strong odour |
|---|---|
| Boiling Point | 226.00 °C. @ 760.00 mm Hg |
| Solubility | insoluble in water; soluble in fat |
| Density | 1.276 (d20/4) |
| Refractive Index | 1.617-1.627 |
| Kovats Retention Index | 1214 |
COMPUTED DESCRIPTORS
| Molecular Weight | 152.3 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| 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 | 54.9 |
| 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
3-Methyl-1,2,4-trithiane is a metabolite found in or produced by Saccharomyces cerevisiae.