| CAS Number | 50739-30-5 |
| Catalog Number | AG00DIS8(AGN-PC-0061QQ) |
| Chemical Name | 2-Benzyl-thiazolidine-4-carboxylic acid |
| IUPAC Name | 2-benzyl-1,3-thiazolidine-4-carboxylic acid |
| InChI | InChI=1S/C11H13NO2S/c13-11(14)9-7-15-10(12-9)6-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14) |
| InChI Key | SNFSDSLKMQQXDU-UHFFFAOYSA-N |
| MDL Number | MFCD09936775 |
| Molecular Formula | C11H13NO2S |
| Molecular Weight | 223.2914 |
| SMILES | OC(C1NC(CC2=CC=CC=C2)SC1)=O |
| Synonyms | 50739-30-5,
2-benzyl-1,3-thiazolidine-4-carboxylic Acid,
2-benzylthiazolidine-4-carboxylic acid,
2-BENZYL-THIAZOLIDINE-4-CARBOXYLIC ACID,
AC1N7UF4,
SCHEMBL16714032,
DTXSID50401563,
SNFSDSLKMQQXDU-UHFFFAOYSA-N,
MFCD09936775,
AKOS000176146,
AKOS022478174,
2-Benzyl-4-thiazolidinecarboxylic acid,
NE32091,
CID4285155,
2-BENZYL-THIAZOLIDINE-4-CARBOXYLICACID,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.29g/mol |
| Monoisotopic Mass | 223.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number