| CAS Number | 1258732-00-1 |
| Catalog Number | AG01C4P2 |
| Chemical Name | 4-(oxane-4-carbonyl)thiomorpholine |
| IUPAC Name | oxan-4-yl(thiomorpholin-4-yl)methanone |
| InChI | InChI=1S/C10H17NO2S/c12-10(9-1-5-13-6-2-9)11-3-7-14-8-4-11/h9H,1-8H2 |
| InChI Key | TXTCRBUQORWZGT-UHFFFAOYSA-N |
| MDL Number | MFCD29906955 |
| Molecular Formula | C10H17NO2S |
| Molecular Weight | 215.3125 |
| SMILES | O=C(N1CCSCC1)C1CCOCC1 |
| Synonyms | 4-(oxane-4-carbonyl)thiomorpholine,
1258732-00-1,
ZINC58393152,
AKOS034333185,
MCULE-7378870110,
Z437579994,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.311g/mol |
| Monoisotopic Mass | 215.098g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number