70446-37-6
Product Name:
3-Ethyl-2-[(E)-2-(3-((E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene)-2-methyl-1-cyclohexen-1-yl)ethenyl]-1,3-benzothiazol-3-ium iodide
Formula:
C29H31IN2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 598.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 598.09734 g/mol |
| Monoisotopic Mass | 598.09734 g/mol |
| Topological Polar Surface Area | 60.7 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 763 |
| 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 |