69415-12-9
Product Name:
2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
Formula:
C29H30ClIN2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 633.1 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 632.05837 g/mol |
| Monoisotopic Mass | 632.05837 g/mol |
| Topological Polar Surface Area | 60.7 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 798 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |