58215-52-4
Product Name:
5-[(Z)-(6-BROMO-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-1,3-THIAZOLANE-2,4-DIONE
Formula:
C11H6BrNO4S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >49.2 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 328.14 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 326.92009 g/mol |
| Monoisotopic Mass | 326.92009 g/mol |
| Topological Polar Surface Area | 89.9 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 427 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |