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2,5-dioxopyrrolidin-1-yl 3-(pyridin-2-yldisulfanyl)butanoate

2,5-dioxopyrrolidin-1-yl 3-(pyridin-2-yldisulfanyl)butanoate

CAS: 107348-47-0

Formula: C13H14N2O4S2

SMILES: CC(CC(=O)ON1C(=O)CCC1=O)SSC1=CC=CC=N1

IUPAC: 2,5-dioxopyrrolidin-1-yl 3-(pyridin-2-yldisulfanyl)butanoate

InChI: InChI=1/C13H14N2O4S2/c1-9(20-21-10-4-2-3-7-14-10)8-13(18)19-15-11(16)5-6-12(15)17/h2-4,7,9H,5-6,8H2,1H3

Composition: C (47.84%), H (4.32%), N (8.58%), O (19.61%), S (19.65%)

Molar Mass: 326.39

Atom Count: 35

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 326.039499287
Formal Charge 0
FSP3 0.38
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey VQZYZXLBKBUOHE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.66
Topological Polar Surface Area 76.57
Polarizability 31.72
Ring Count 2
Rotatable Bond Count 7

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