338793-30-9
Product Name:
ETHYL 5-[(3-CYANOBENZYL)SULFANYL]-2-THIOXO-1,3-DITHIOLE-4-CARBOXYLATE
Formula:
C14H11NO2S4
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COMPUTED DESCRIPTORS
| Molecular Weight | 353.5 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 352.96726329 g/mol |
| Monoisotopic Mass | 352.96726329 g/mol |
| Topological Polar Surface Area | 158 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 508 |
| 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 |