CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 115 - 116 °C |
| Kovats Retention Index | 1072 1043 1050 1037 1038 |
COMPUTED DESCRIPTORS
| Molecular Weight | 141.24 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 141.06122053 g/mol |
| Monoisotopic Mass | 141.06122053 g/mol |
| Topological Polar Surface Area | 41.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 94.9 |
| 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
4-Ethyl-2,5-dimethylthiazole is a metabolite found in or produced by Saccharomyces cerevisiae.