667412-60-4
Product Name:
(5E)-5-(5-bromo-2-isopropoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
Formula:
C13H12BrNO2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 358.3 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 356.94928 g/mol |
| Monoisotopic Mass | 356.94928 g/mol |
| Topological Polar Surface Area | 95.7 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 411 |
| 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 |