59170-49-9
Product Name:
3-ETHYL-2-((E)-2-[5-((Z)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2H-PYRAN-3(6H)-YL]ETHENYL)-1,3-BENZOTHIAZOL-3-IUM IODIDE
Formula:
C27H27IN2OS2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 586.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 586.06095 g/mol |
| Monoisotopic Mass | 586.06095 g/mol |
| Topological Polar Surface Area | 69.9 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 729 |
| 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 |