CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Melting point = 38 deg C; [ChemIDplus] |
|---|---|
| Kovats Retention Index | 1221 |
| Chemical Classes | Nitrogen Compounds -> Thiazoles |
COMPUTED DESCRIPTORS
| Molecular Weight | 135.19 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 135.01427034 g/mol |
| Monoisotopic Mass | 135.01427034 g/mol |
| Topological Polar Surface Area | 41.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 105 |
| 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
1,2-Benzisothiazole is a natural product found in Mangifera indica and Apium graveolens with data available.