| CAS Number | 89799-78-0 |
| Catalog Number | AG019YH2(AGN-PC-0WO8GN) |
| Chemical Name | sodium 2-[(2-oxopropyl)sulfanyl]acetate |
| IUPAC Name | sodium;2-(2-oxopropylsulfanyl)acetate |
| InChI | InChI=1S/C5H8O3S.Na/c1-4(6)2-9-3-5(7)8;/h2-3H2,1H3,(H,7,8);/q;+1/p-1 |
| InChI Key | ONFNMMWCNZUMCZ-UHFFFAOYSA-M |
| MDL Number | MFCD22196403 |
| Molecular Formula | C5H7NaO3S |
| Molecular Weight | 170.1620 |
| SMILES | [Na+].CC(CSCC([O-])=O)=O |
| Synonyms | sodium 2-[(2-oxopropyl)sulfanyl]acetate,
89799-78-0,
AKOS026728818,
MCULE-9638868968,
NE20382,
Z1359429555,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.158g/mol |
| Monoisotopic Mass | 170.001g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number