53061-07-7
Product Name:
2-METHYL-3-SULFOBUTYL-5-CHLOROBENZOTHIAZOLIUM, INNER SALT
Formula:
C12H14ClNO3S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 319.8 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 319.0103633 g/mol |
| Monoisotopic Mass | 319.0103633 g/mol |
| Topological Polar Surface Area | 97.7 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 385 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |