| CAS Number | 26822-41-3 |
| Catalog Number | AG019NCA(AGN-PC-0WO1QM) |
| Chemical Name | 2-(propan-2-ylsulfanyl)propanoic acid |
| IUPAC Name | 2-propan-2-ylsulfanylpropanoic acid |
| InChI | InChI=1S/C6H12O2S/c1-4(2)9-5(3)6(7)8/h4-5H,1-3H3,(H,7,8) |
| InChI Key | YFAOQZIUURICKV-UHFFFAOYSA-N |
| MDL Number | MFCD09934590 |
| Molecular Formula | C6H12O2S |
| Molecular Weight | 148.2233 |
| SMILES | CC(SC(C(O)=O)C)C |
| Synonyms | 2-(propan-2-ylsulfanyl)propanoic acid,
2-(isopropylthio)propanoic acid,
26822-41-3,
2-isopropylsulfanyl-propionic acid,
AC1Q1QU0,
SCHEMBL12285652,
CTK6A3477,
AKOS000179108,
AKOS026726648,
MCULE-1620493707,
NE59124,
EN300-39968,
Z214845364,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.22g/mol |
| Monoisotopic Mass | 148.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number