| CAS Number | 53943-83-2 |
| Catalog Number | AG01BXMQ |
| Chemical Name | 2-[2-(methylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxylic acid |
| IUPAC Name | 2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid |
| InChI | InChI=1S/C7H13NO2S2/c1-11-3-2-6-8-5(4-12-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10) |
| InChI Key | HNYDDPYIPQVLDL-UHFFFAOYSA-N |
| MDL Number | MFCD12157076 |
| Molecular Formula | C7H13NO2S2 |
| Molecular Weight | 207.3136 |
| SMILES | CSCCC1SCC(C(O)=O)N1 |
| Synonyms | 2-[2-(methylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxylic acid,
53943-83-2,
SCHEMBL11718039,
AKOS010028980,
Z2692093968,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.306g/mol |
| Monoisotopic Mass | 207.039g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 99.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number