52231-50-2
Product Name:
2-[(1E,3E,5E)-6-(DIMETHYLAMINO)HEXA-1,3,5-TRIENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
Formula:
C17H21IN2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 412.3 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 412.04702 g/mol |
| Monoisotopic Mass | 412.04702 g/mol |
| Topological Polar Surface Area | 35.4 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 373 |
| 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 |