| CAS Number | 13330-92-2 |
| Catalog Number | AG01B8SF |
| Chemical Name | 2-[(carboxymethyl)sulfanyl]-2-methylpropanoic acid |
| IUPAC Name | 2-(carboxymethylsulfanyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C6H10O4S/c1-6(2,5(9)10)11-3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10) |
| InChI Key | YPTVRBPJTHXHRA-UHFFFAOYSA-N |
| MDL Number | MFCD19259553 |
| Molecular Formula | C6H10O4S |
| Molecular Weight | 178.2062 |
| SMILES | CC(C)(SCC(O)=O)C(O)=O |
| Synonyms | 2-[(carboxymethyl)sulfanyl]-2-methylpropanoic acid,
13330-92-2,
2,2-dimethyl-3-thia-glutaric acid,
ZINC58253452,
AKOS017514326,
Z2010041958,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.202g/mol |
| Monoisotopic Mass | 178.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 99.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number