34263-37-1
Product Name:
3-allyl-2-[3-[3-allylbenzothiazol-2(3H)-ylidene]prop-1-enyl]benzothiazolium iodide
Formula:
C23H21IN2S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 516.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 516.01909 g/mol |
| Monoisotopic Mass | 516.01909 g/mol |
| Topological Polar Surface Area | 60.7 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 549 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |