338793-29-6
Product Name:
ETHYL 2-THIOXO-5-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)-1,3-DITHIOLE-4-CARBOXYLATE
Formula:
C14H11F3O2S4
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COMPUTED DESCRIPTORS
Molecular Weight | 396.5 g/mol |
---|---|
XLogP3 | 5.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 6 |
Exact Mass | 395.95939877 g/mol |
Monoisotopic Mass | 395.95939877 g/mol |
Topological Polar Surface Area | 134 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 505 |
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 |