173357-16-9
Product Name:
3-METHYL-2-((E)-3-[1-[3-(TRIMETHYLAMMONIO)PROPYL]-4(1H)-PYRIDINYLIDENE]-1-PROPENYL)-1,3-BENZOTHIAZOL-3-IUM DIIODIDE
Formula:
C22H29I2N3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 621.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 621.01716 g/mol |
| Monoisotopic Mass | 621.01716 g/mol |
| Topological Polar Surface Area | 32.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 500 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |