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890409-85-5 | 2,5-dioxopyrrolidin-1-yl 4-methyl-4-(pyridin-2-yldisulfanyl)pentanoate
CAS No: 890409-85-5 Catalog No: AG003G0R MDL No:MFCD20230415
Product Description
Catalog Number:
AG003G0R
Chemical Name:
2,5-dioxopyrrolidin-1-yl 4-methyl-4-(pyridin-2-yldisulfanyl)pentanoate
CAS Number:
890409-85-5
Molecular Formula:
C15H18N2O4S2
Molecular Weight:
354.4444
MDL Number:
MFCD20230415
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
SMILES:
O=C(ON1C(=O)CCC1=O)CCC(SSc1ccccn1)(C)C
Properties
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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