20749-81-9
Product Name:
3-ETHYL-2-([7-([3-ETHYL-6-METHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENYLIDENE]METHYL)-6-METHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
Formula:
C32H36IN2S2+
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COMPUTED DESCRIPTORS
Molecular Weight | 638.7 g/mol |
---|---|
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 4 |
Exact Mass | 638.12864 g/mol |
Monoisotopic Mass | 638.12864 g/mol |
Topological Polar Surface Area | 60.7 Ų |
Heavy Atom Count | 37 |
Formal Charge | 0 |
Complexity | 877 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 2 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 2 |
Compound Is Canonicalized | Yes |