| CAS Number | 1158584-44-1 |
| Catalog Number | AG00J0UP |
| Chemical Name | 4-thiomorpholinylacetic acid hydrochloride |
| IUPAC Name | 2-thiomorpholin-4-ylacetic acid;hydrochloride |
| InChI | InChI=1S/C6H11NO2S.ClH/c8-6(9)5-7-1-3-10-4-2-7;/h1-5H2,(H,8,9);1H |
| InChI Key | ZOMIBRZQBIGSGS-UHFFFAOYSA-N |
| MDL Number | MFCD12028427 |
| Molecular Formula | C6H12ClNO2S |
| Molecular Weight | 197.6830 |
| SMILES | N1(CCSCC1)CC(O)=O.Cl |
| Synonyms | thiomorpholin-4-ylacetic acid hydrochloride,
4-thiomorpholinylacetic acid hydrochloride,
1158584-44-1,
SCHEMBL1371867,
CTK7J5050,
ZOMIBRZQBIGSGS-UHFFFAOYSA-N,
MFCD12028427,
AKOS015848814,
2-thiomorpholinoacetic acid hydrochloride,
TR-061566,
6007-55-2,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.677g/mol |
| Monoisotopic Mass | 197.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number