| CAS Number | 341498-08-6 |
| Catalog Number | AG003TCB(AGN-PC-00C5YJ) |
| Chemical Name | N-Succinimidyl 4-(2-pyridyldithio)pentanoate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate |
| InChI | InChI=1S/C14H16N2O4S2/c1-10(21-22-11-4-2-3-9-15-11)5-8-14(19)20-16-12(17)6-7-13(16)18/h2-4,9-10H,5-8H2,1H3 |
| InChI Key | GTBCXYYVWHFQRS-UHFFFAOYSA-N |
| MDL Number | MFCD20230233 |
| Molecular Formula | C14H16N2O4S2 |
| Molecular Weight | 340.4178 |
| SMILES | CC(SSC1=NC=CC=C1)CCC(ON2C(CCC2=O)=O)=O |
| Synonyms | N-succinimidyl 4-(2-pyridyldithio)pentanoate,
341498-08-6,
2,5-Pyrrolidinedione, 1-[[1-oxo-4-(2-pyridinyldithio)pentyl]oxy]-,
SCHEMBL109627,
7303AJ,
AKOS027256936,
2,5-dioxopyrrolidin-1-yl 4-(pyridin-2-yldisulfanyl)pentanoate,
(2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate,
C14H16N2O4S2,
CID11588139,
(2,5-dioxopyrrolidin-1-yl) 4-pyridin-2-yldisulfanylpentanoate,
|
| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.412g/mol |
| Monoisotopic Mass | 340.055g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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