| CAS Number | 91114-48-6 |
| Catalog Number | AG01A6ZU(AGN-PC-00NP9I) |
| Chemical Name | 2-[(2-Methoxy-2-oxoethyl)sulfanyl]acetic acid |
| IUPAC Name | 2-(2-methoxy-2-oxoethyl)sulfanylacetic acid |
| InChI | InChI=1S/C5H8O4S/c1-9-5(8)3-10-2-4(6)7/h2-3H2,1H3,(H,6,7) |
| InChI Key | YNPVYNMNQMSFNP-UHFFFAOYSA-N |
| MDL Number | MFCD11646668 |
| Molecular Formula | C5H8O4S |
| Molecular Weight | 164.1796 |
| SMILES | COC(CSCC(=O)O)=O |
| Synonyms | 2-[(2-methoxy-2-oxoethyl)sulfanyl]acetic acid,
91114-48-6,
SCHEMBL19730844,
ZINC34133278,
AKOS008972571,
MCULE-3902674048,
NE53356,
Z65933549,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.175g/mol |
| Monoisotopic Mass | 164.014g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number