| CAS Number | 50773-27-8 |
| Catalog Number | AG01B8EC(AGN-PC-0OBELO) |
| Chemical Name | Tert-butyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetate |
| IUPAC Name | tert-butyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetate |
| InChI | InChI=1S/C9H13NO4S/c1-9(2,3)14-7(12)4-10-6(11)5-15-8(10)13/h4-5H2,1-3H3 |
| InChI Key | BKUAQGWOPUHCQD-UHFFFAOYSA-N |
| MDL Number | MFCD25963955 |
| Molecular Formula | C9H13NO4S |
| Molecular Weight | 231.2688 |
| SMILES | CC(OC(CN1C(=O)SCC1=O)=O)(C)C |
| Synonyms | 50773-27-8,
tert-butyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetate,
tert-Butyl 2-(2,4-dioxothiazolidin-3-yl)acetate,
(2,4-dioxothiazolidin-3-yl)acetic acid tert-butyl ester,
SCHEMBL10465762,
BKUAQGWOPUHCQD-UHFFFAOYSA-N,
ZINC96524034,
AKOS027247953,
t-butyl 2,4-dioxothiazolidine-3-acetate,
Z360516432,
(2,4-Dioxo-thiazolidin-3-yl)-acetic acid tert-butyl ester,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.266g/mol |
| Monoisotopic Mass | 231.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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