| CAS Number | 890409-85-5 |
| Catalog Number | AG003G0R(AGN-PC-0C2K7E) |
| Chemical Name | 2,5-dioxopyrrolidin-1-yl 4-methyl-4-(pyridin-2-yldisulfanyl)pentanoate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(pyridin-2-yldisulfanyl)pentanoate |
| InChI | InChI=1S/C15H18N2O4S2/c1-15(2,23-22-11-5-3-4-10-16-11)9-8-14(20)21-17-12(18)6-7-13(17)19/h3-5,10H,6-9H2,1-2H3 |
| InChI Key | GOJXFKVHNIGABU-UHFFFAOYSA-N |
| MDL Number | MFCD20230415 |
| Molecular Formula | C15H18N2O4S2 |
| Molecular Weight | 354.4444 |
| SMILES | CC(CCC(=O)ON1C(CCC1=O)=O)(C)SSC1=NC=CC=C1 |
| Synonyms | 890409-85-5,
2,5-dioxopyrrolidin-1-yl 4-methyl-4-(pyridin-2-yldisulfanyl)pentanoate,
C15H18N2O4S2,
(2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(pyridin-2-yldisulfanyl)pentanoate,
SCHEMBL13658486,
5352AJ,
AKOS027257055,
ZINC101687019,
TRA-0206804,
(2,5-dioxopyrrolidin-1-yl)4-methyl-4-(pyridin-2-yldisulfanyl)pentanoate,
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| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.439g/mol |
| Monoisotopic Mass | 354.071g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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