92843-53-3
Product Name:
(2S)-2,6-Diisothiocyanato-Hexanoic Acid Ethyl Ester
Formula:
C10H14N2O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 258.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 258.04967004 g/mol |
| Monoisotopic Mass | 258.04967004 g/mol |
| Topological Polar Surface Area | 115 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 308 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |