55929-55-0
Product Name:
3-(3-SULFOPROPYL)-2-(2-(3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE)-METHYL)-1-BUTENYL)-BENZOTHIAZOLIUM HYDROXIDE, INNER SALT,TRIETHYLAMINE SALT
Formula:
C31H43N3O6S4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 682.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 12 |
| Exact Mass | 681.20347079 g/mol |
| Monoisotopic Mass | 681.20347079 g/mol |
| Topological Polar Surface Area | 196 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 968 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |