70446-37-6
Product Name:
3-ETHYL-2-[(E)-2-(3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
Formula:
C29H31IN2S2
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COMPUTED DESCRIPTORS
Molecular Weight | 598.6 g/mol |
---|---|
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 5 |
Exact Mass | 598.09734 g/mol |
Monoisotopic Mass | 598.09734 g/mol |
Topological Polar Surface Area | 60.7 Ų |
Heavy Atom Count | 34 |
Formal Charge | 0 |
Complexity | 763 |
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 |