27930-82-1
Product Name:
2-(3-Ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-3(2H)-benzothiazole propane sulfonic acid triethylamine salt
Formula:
C15H16N2O4S4.C6H15N
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COMPUTED DESCRIPTORS
| Molecular Weight | 517.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 517.11974117 g/mol |
| Monoisotopic Mass | 517.11974117 g/mol |
| Topological Polar Surface Area | 172 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 727 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |