| CAS Number | 104527-63-1 |
| Catalog Number | AG01CACP(AGN-PC-0NVT4Q) |
| Chemical Name | (4S)-3-acetyl-1,3-thiazolidine-4-carboxylic acid |
| IUPAC Name | (4S)-3-acetyl-1,3-thiazolidine-4-carboxylic acid |
| InChI | InChI=1S/C6H9NO3S/c1-4(8)7-3-11-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)/t5-/m1/s1 |
| InChI Key | WXTBYSIPOKXCPM-RXMQYKEDSA-N |
| MDL Number | MFCD20760270 |
| Molecular Formula | C6H9NO3S |
| Molecular Weight | 175.2056 |
| SMILES | CC(N1[C@@H](C(O)=O)CSC1)=O |
| Synonyms | (4S)-3-acetyl-1,3-thiazolidine-4-carboxylic acid,
104527-63-1,
n-acetyl-d-thioproline,
SCHEMBL5778845,
WXTBYSIPOKXCPM-RXMQYKEDSA-N,
ZINC196209,
ACN-047886,
Acetyl-D-thiazolidine-4-carboxylic acid,
(S)-3-acetylthiazolidin-4-carboxylic acid,
(S)-3-acetylthiazolidine-4-carboxylic acid,
FT-0659877,
AC1LF9HQ,
Acetylthiazolidinecarboxylic acid,
CID749158,
AJ-17828,
(R)-3-Acetylthiazolidine-4-carboxylic acid,
4-Thiazolidinecarboxylic acid, 3-acetyl-, (4R)-,
54323-50-1,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.030314g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.21g/mol |
| Monoisotopic Mass | 175.030314g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number