CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | liquid with meaty odour |
|---|---|
| Solubility | insoluble in water; miscible in fat |
| Density | 1.052 (d20/4) |
| Refractive Index | 1.526-1.536 |
| Kovats Retention Index | 995 995 |
COMPUTED DESCRIPTORS
| Molecular Weight | 122.3 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 122.02239267 g/mol |
| Monoisotopic Mass | 122.02239267 g/mol |
| Topological Polar Surface Area | 2 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 28.7 |
| 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
1,3-Butanedithiol is an alkanethiol.