118528-85-1
Product Name:
S-METHYL 4,4,4-TRIFLUORO-3-OXOTHIO-BUTYR ATE, 98
Formula:
C5H5F3O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 186.15 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 185.99623506 g/mol |
| Monoisotopic Mass | 185.99623506 g/mol |
| Topological Polar Surface Area | 59.4 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 175 |
| 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 |