| CAS Number | 1204586-28-6 |
| Catalog Number | AG01FFO0(AGN-PC-3H4A8E) |
| Chemical Name | 2,5-dioxopyrrolidin-1-yl 4-(acetylthio)butanoate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 4-acetylsulfanylbutanoate |
| InChI | InChI=1S/C10H13NO5S/c1-7(12)17-6-2-3-10(15)16-11-8(13)4-5-9(11)14/h2-6H2,1H3 |
| InChI Key | DWKYUKDBVOLOLK-UHFFFAOYSA-N |
| MDL Number | MFCD31381640 |
| Molecular Formula | C10H13NO5S |
| Molecular Weight | 259.2789 |
| SMILES | O=C(ON1C(=O)CCC1=O)CCCSC(=O)C |
| Synonyms | SCHEMBL12564238,
A1-06639,
Butanoic acid, 4-(acetylthio)-, 2,5-dioxo-1-pyrrolidinyl ester,
1204586-28-6,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.276g/mol |
| Monoisotopic Mass | 259.051g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number