COMPUTED DESCRIPTORS
| Molecular Weight | 206.26 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 206.06128010 g/mol |
| Monoisotopic Mass | 206.06128010 g/mol |
| Topological Polar Surface Area | 53.6 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 181 |
| 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
Diethyl 2-sulfanylbutanedioate is a diester resulting from the formal condensation of the carboxy groups of thiomalic acid with ethanol. It is a metabolite of the insecticide malathion. It has a role as a flavouring agent and a bacterial xenobiotic metabolite. It is a diester and an ethyl ester. It is functionally related to a thiomalic acid.