20461-99-8
Product Name:
ETHYL 1,3-DITHIOLANE-2-CARBOXYLATE
Formula:
C6H10O2S2
Synonyms:
Glyoxylic acid ethyl ester ethylene mercaptal
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid with a strong offensive odor; [Alfa Aesar MSDS] |
|---|---|
| Chemical Classes | Other Classes -> Esters, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 178.3 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 178.01222190 g/mol |
| Monoisotopic Mass | 178.01222190 g/mol |
| Topological Polar Surface Area | 76.9 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 121 |
| 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 |