1022352-89-1
Product Name:
3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE
Formula:
C16H9ClF6N4S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 502.9 g/mol |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 501.9582065 g/mol |
| Monoisotopic Mass | 501.9582065 g/mol |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 654 |
| 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 |