28784-39-6
Product Name:
2-[2-[(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-1-BUTENYL]-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM HYDROXIDE, INNER SALT
Formula:
C29H30N2O3S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 550.8 g/mol |
|---|---|
| XLogP3 | 7.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 550.14185634 g/mol |
| Monoisotopic Mass | 550.14185634 g/mol |
| Topological Polar Surface Area | 126 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 949 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |