| CAS Number | 1249219-78-0 |
| Catalog Number | AG019TNV(AGN-PC-0WODB0) |
| Chemical Name | 2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-2-methylpropanoic acid |
| IUPAC Name | 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanoic acid |
| InChI | InChI=1S/C8H15NO4S/c1-8(2,7(10)11)9-3-5-14(12,13)6-4-9/h3-6H2,1-2H3,(H,10,11) |
| InChI Key | DYIGIFSYEYOLBF-UHFFFAOYSA-N |
| MDL Number | MFCD14608435 |
| Molecular Formula | C8H15NO4S |
| Molecular Weight | 221.2740 |
| SMILES | CC(C(O)=O)(N1CCS(=O)(=O)CC1)C |
| Synonyms | 1249219-78-0,
2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-2-methylpropanoic acid,
ZINC40911494,
AKOS010517541,
MCULE-3607927816,
NE57245,
Z1331055687,
2-(1,1-dioxo-1??,4-thiomorpholin-4-yl)-2-methylpropanoic acid,
2-(1,1-dioxo-1lambda-thiomorpholin-4-yl)-2-methylpropanoic acid,
2-(1,1-dioxo-1$l;{6},4-thiomorpholin-4-yl)-2-methylpropanoic acid,
2-(1,1-dioxo-1$l^{6},4-thiomorpholin-4-yl)-2-methylpropanoic acid,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.271g/mol |
| Monoisotopic Mass | 221.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number