| CAS Number | 1041059-16-8 |
| Catalog Number | AG01AACH |
| Chemical Name | 2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic acid |
| IUPAC Name | 2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic acid |
| InChI | InChI=1S/C12H15NO2S/c1-7-3-4-9(8(2)5-7)11-13-10(6-16-11)12(14)15/h3-5,10-11,13H,6H2,1-2H3,(H,14,15) |
| InChI Key | WTDGOGLHWOAHSL-UHFFFAOYSA-N |
| MDL Number | MFCD03180319 |
| Molecular Formula | C12H15NO2S |
| Molecular Weight | 237.3180 |
| SMILES | CC1=CC(C)=C(C2SCC(C(O)=O)N2)C=C1 |
| Synonyms | 2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic Acid,
1041059-16-8,
AC1N5D5N,
AC1Q2HX9,
AKOS000195349,
AKOS022475079,
MCULE-2961562491,
NE17896,
EN300-68207,
Z1259273201,
CID4143104,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.317g/mol |
| Monoisotopic Mass | 237.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number