| CAS Number | 62305-89-9 |
| Catalog Number | AG00F5DL(AGN-PC-0ODOW3) |
| Chemical Name | (3R)-5-oxothiomorpholine-3-carboxylic acid |
| IUPAC Name | (3R)-5-oxothiomorpholine-3-carboxylic acid |
| InChI | InChI=1S/C5H7NO3S/c7-4-2-10-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 |
| InChI Key | ZCITVSIKDJSWSS-VKHMYHEASA-N |
| MDL Number | MFCD24386636 |
| Molecular Formula | C5H7NO3S |
| Molecular Weight | 161.1790 |
| SMILES | OC([C@H]1NC(=O)CSC1)=O |
| Synonyms | 62305-89-9,
Carbocisteine Lactam,
AC1LGMMN,
(3R)-5-oxothiomorpholine-3-carboxylic acid,
3-Thiomorpholinecarboxylic acid, 5-oxo-, (R)-,
3-Thiomorpholinecarboxylic acid, 5-oxo-, (3R)-,
SCHEMBL9201482,
CTK2C2698,
DTXSID40354453,
ZINC259584,
Lactam of (S)-Carboxymethyl-L-cysteine,
CID773938,
5-oxothiomorpholine-3-carboxylic Acid,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.175g/mol |
| Monoisotopic Mass | 161.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number