54646-38-7
Product Name:
1-ETHYL-2-(5-(1-ETHYL-1,3-BENZTHIAZOLIN-2-YLIDEN)-PENTA-1,3- DIEN-1-YL)-1,3-BENZTHIAZOLIUM-CHLORIDE
Formula:
C23H23ClN2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 427.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 426.0991188 g/mol |
| Monoisotopic Mass | 426.0991188 g/mol |
| Topological Polar Surface Area | 60.7 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 537 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |