| CAS Number | 4476-21-5 |
| Catalog Number | AG01EIRX(AGN-PC-0OAHEP) |
| Chemical Name | 3-ethyl-1,2lambda6-oxathiane-2,2-dione |
| IUPAC Name | 3-ethyloxathiane 2,2-dioxide |
| InChI | InChI=1S/C6H12O3S/c1-2-6-4-3-5-9-10(6,7)8/h6H,2-5H2,1H3 |
| InChI Key | DHPDUAMLNUJOTA-UHFFFAOYSA-N |
| MDL Number | MFCD31736059 |
| Molecular Formula | C6H12O3S |
| Molecular Weight | 164.2227 |
| SMILES | CCC1S(=O)(=O)OCCC1 |
| Synonyms | 3-ethyl-[1,2]oxathiane 2,2-dioxide,
4476-21-5,
SCHEMBL11897589,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.219g/mol |
| Monoisotopic Mass | 164.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number