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107348-47-0 | 2,5-dioxopyrrolidin-1-yl 3-(pyridin-2-yldisulfanyl)butanoate
CAS No: 107348-47-0 Catalog No: AG003G0M MDL No:
Product Description
Catalog Number:
AG003G0M
Chemical Name:
2,5-dioxopyrrolidin-1-yl 3-(pyridin-2-yldisulfanyl)butanoate
CAS Number:
107348-47-0
Molecular Formula:
C13H14N2O4S2
Molecular Weight:
326.3913
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)butanoate
InChI:
InChI=1S/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
InChI Key:
VQZYZXLBKBUOHE-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CC(SSc1ccccn1)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.039g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.385g/mol
Monoisotopic Mass:
326.039g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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