| CAS Number | 1248666-78-5 |
| Catalog Number | AG01BEMU(AGN-PC-0WOSW8) |
| Chemical Name | 3-Methanesulfinyl-2-methylpropanoic acid |
| IUPAC Name | 2-methyl-3-methylsulfinylpropanoic acid |
| InChI | InChI=1S/C5H10O3S/c1-4(5(6)7)3-9(2)8/h4H,3H2,1-2H3,(H,6,7) |
| InChI Key | GMUYWEFEKTWXQE-UHFFFAOYSA-N |
| MDL Number | MFCD14613386 |
| Molecular Formula | C5H10O3S |
| Molecular Weight | 150.1961 |
| SMILES | CC(C(O)=O)CS(C)=O |
| Synonyms | 3-methanesulfinyl-2-methylpropanoic acid,
1248666-78-5,
AKOS010556121,
MCULE-4855592077,
NE47931,
Z1665154799,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.192g/mol |
| Monoisotopic Mass | 150.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number