169454-13-1
Product Name:
2-([1-(3-[[3-(DIMETHYL(3-[4-[(3-METHYL-1,3-BENZOTHIAZOL-3-IUM-2-YL)METHYLENE]-1(4H)-PYRIDINYL]PROPYL)AMMONIO)PROPYL](DIMETHYL)AMMONIO]PROPYL)-4(1H)-PYRIDINYLIDENE]METHYL)-3-METHYL-1,3-BENZOTHIAZOL-3-IUM TETRAIODIDE
Formula:
C41H54IN6S2+3
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COMPUTED DESCRIPTORS
| Molecular Weight | 1202.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 14 |
| Exact Mass | 1202.0030 g/mol |
| Monoisotopic Mass | 1202.0030 g/mol |
| Topological Polar Surface Area | 64.8 Ų |
| Heavy Atom Count | 53 |
| Formal Charge | 0 |
| Complexity | 1010 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 5 |
| Compound Is Canonicalized | Yes |