| CAS Number | 317331-86-5 |
| Catalog Number | AG003TCJ(AGN-PC-0WAIG2) |
| Chemical Name | N-Succinimidyl-5-(2-pyridyldithio)valerate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 5-(pyridin-2-yldisulfanyl)pentanoate |
| InChI | InChI=1S/C14H16N2O4S2/c17-12-7-8-13(18)16(12)20-14(19)6-2-4-10-21-22-11-5-1-3-9-15-11/h1,3,5,9H,2,4,6-8,10H2 |
| InChI Key | ABQGFYSYSCHJNB-UHFFFAOYSA-N |
| MDL Number | MFCD26522028 |
| Molecular Formula | C14H16N2O4S2 |
| Molecular Weight | 340.4178 |
| SMILES | N1=C(C=CC=C1)SSCCCCC(=O)ON1C(CCC1=O)=O |
| Synonyms | N-succinimidyl-5-(2-pyridyldithio)valerate,
317331-86-5,
SCHEMBL3490800,
AKOS027257159,
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| Complexity | 404 |
| 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 | 9 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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