54118-16-0
Product Name:
3-Ethyl-2-[(3-([3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl)-5-methyl-2-cyclohexen-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide
Formula:
C27H29IN2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 572.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 572.08169 g/mol |
| Monoisotopic Mass | 572.08169 g/mol |
| Topological Polar Surface Area | 60.7 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 684 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |