CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] |
|---|---|
| Color/Form | Large prisms from ether |
| Melting Point | 50 °C |
| Stability/Shelf Life | Stable in alkali, but not in acid. |
| Optical Rotation | Specific optical rotation at 31 °C for D (sodium) line = -70.5 deg (c=2 in methanol). |
| Dissociation Constants | pKa = 10.5 |
| Chemical Classes | Biological Agents -> Plant Toxins |
COMPUTED DESCRIPTORS
| Molecular Weight | 129.18 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 129.02483502 g/mol |
| Monoisotopic Mass | 129.02483502 g/mol |
| Topological Polar Surface Area | 53.4 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 124 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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
(S)-goitrin is a 5-ethenyl-1,3-oxazolidine-2-thione that has S-configuration. It is a constituent of a traditional Chinese herbal medicine, Radix isatidis. It has a role as an antiviral agent, a plant metabolite and an antithyroid drug. It is an enantiomer of a (R)-goitrin.