339019-95-3
Product Name:
S-(1,3-BENZOTHIAZOL-2-YL) 2-[(3,4,4-TRIFLUORO-3-BUTENYL)SULFANYL]-3-PYRIDINECARBOTHIOATE
Formula:
C17H11F3N2OS3
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COMPUTED DESCRIPTORS
| Molecular Weight | 412.5 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 411.99856099 g/mol |
| Monoisotopic Mass | 411.99856099 g/mol |
| Topological Polar Surface Area | 122 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 533 |
| 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 |