| CAS Number | 62574-23-6 |
| Catalog Number | AG00EEUS(AGN-PC-00NM3R) |
| Chemical Name | 2-methyl-3-(methylthio)propanoic acid |
| IUPAC Name | 2-methyl-3-methylsulfanylpropanoic acid |
| InChI | InChI=1S/C5H10O2S/c1-4(3-8-2)5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| InChI Key | LJGHYEQLQGHZJS-UHFFFAOYSA-N |
| MDL Number | MFCD12823558 |
| Molecular Formula | C5H10O2S |
| Molecular Weight | 134.1967 |
| SMILES | CSCC(C(O)=O)C |
| Synonyms | 2-methyl-3-(methylsulfanyl)propanoic acid,
62574-23-6,
2-methyl-3-(methylthio)propanoic acid,
AC1Q4H9P,
SCHEMBL162834,
CTK8E4079,
LJGHYEQLQGHZJS-UHFFFAOYSA-N,
3-Methylthio-2-Methylpropanoic acid,
AKOS008142994,
MCULE-7112130175,
NE15584,
2-methyl-3-methylsulfanyl-propionic acid,
DA-16992,
SC-52180,
TX-016478,
FT-0767250,
EN300-73277,
|
| Complexity | 82.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.193g/mol |
| Monoisotopic Mass | 134.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number