| CAS Number | 1909319-87-4 |
| Catalog Number | AG01C3GP |
| Chemical Name | 2-methyl-1,1-dioxo-1lambda6,2-thiazolidine-5-carboxylic acid |
| IUPAC Name | 2-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylic acid |
| InChI | InChI=1S/C5H9NO4S/c1-6-3-2-4(5(7)8)11(6,9)10/h4H,2-3H2,1H3,(H,7,8) |
| InChI Key | FHUFIMQTQRKPRH-UHFFFAOYSA-N |
| MDL Number | MFCD29762807 |
| Molecular Formula | C5H9NO4S |
| Molecular Weight | 179.1943 |
| SMILES | CN1S(=O)(=O)C(C(O)=O)CC1 |
| Synonyms | 1909319-87-4,
2-methyl-1,1-dioxo-1lambda6,2-thiazolidine-5-carboxylic acid,
AKOS033905293,
2-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylic acid,
Z2418194248,
2-methyl-1,1-dioxo-1lambda,2-thiazolidine-5-carboxylic acid,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.19g/mol |
| Monoisotopic Mass | 179.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number