30457-67-1
Product Name:
5-CHLORO-2-[(5-CHLORO-3-(4-SULFOBUTYL)-2(3H)-BENZOTHIAZOLYLIDENE)-2- METHYL- 1-PROPENYL]-3-(4-SULFOBUTYL)- BENZOTHIAZOLIUM HYDROXIDE, INNER SALT, SODIUM SALT
Formula:
C26H27Cl2N2NaO6S4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 663.7 g/mol |
|---|---|
| XLogP3 | 6.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 662.0207267 g/mol |
| Monoisotopic Mass | 662.0207267 g/mol |
| Topological Polar Surface Area | 189 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1130 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |