| CAS Number | 1803566-72-4 |
| Catalog Number | AG01ACUZ(AGN-PC-0WOUBT) |
| Chemical Name | Thiomorpholine-3-carboxylic acid 1-oxide hydrochloride |
| IUPAC Name | 1-oxo-1,4-thiazinane-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C5H9NO3S.ClH/c7-5(8)4-3-10(9)2-1-6-4;/h4,6H,1-3H2,(H,7,8);1H |
| InChI Key | WWGMNTLLDOSUFS-UHFFFAOYSA-N |
| MDL Number | MFCD26936139 |
| Molecular Formula | C5H10ClNO3S |
| Molecular Weight | 199.6558 |
| SMILES | Cl.OC(C1NCCS(=O)C1)=O |
| Synonyms | 1803566-72-4,
1-oxo-1lambda4-thiomorpholine-3-carboxylic acid hydrochloride,
AKOS026743714,
NE38935,
1-oxo-1??,4-thiomorpholine-3-carboxylic acid hydrochloride,
1-oxo-1lambda-thiomorpholine-3-carboxylic acid hydrochloride,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.649g/mol |
| Monoisotopic Mass | 199.007g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 85.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number