55965-84-9
Product Name:
Methylchloroisothiazolinone/methylisothiazolinone mixture (MCIT/MIT)
Formula:
C4H5NOS.C4H4ClNOS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 264.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 263.9793976 g/mol |
| Monoisotopic Mass | 263.9793976 g/mol |
| Topological Polar Surface Area | 91.2 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 277 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |