| CAS Number | 19677-50-0 |
| Catalog Number | AG01C5SO |
| Chemical Name | 8lambda6-thiabicyclo[3.2.1]octane-3,8,8-trione |
| IUPAC Name | 8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-one |
| InChI | InChI=1S/C7H10O3S/c8-5-3-6-1-2-7(4-5)11(6,9)10/h6-7H,1-4H2 |
| InChI Key | FDQGOPRXAOUROX-UHFFFAOYSA-N |
| MDL Number | MFCD24699442 |
| Molecular Formula | C7H10O3S |
| Molecular Weight | 174.2175 |
| SMILES | O=C1CC2S(=O)(=O)C(CC2)C1 |
| Synonyms | 8lambda6-thiabicyclo[3.2.1]octane-3,8,8-trione,
19677-50-0,
SCHEMBL14374971,
AKOS033922564,
8lambda-thiabicyclo[3.2.1]octane-3,8,8-trione,
Z2472860082,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.214g/mol |
| Monoisotopic Mass | 174.035g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number