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Home > Imidazoles > 459818-66-7
459818-66-7 | 5-(2-{[2-(2,5-dioxoimidazolidin-4-yl)ethyl]disulfanyl}ethyl)imidazolidine-2,4-dione
CAS No: 459818-66-7 Catalog No: AG01AI99 MDL No:MFCD16612833
Product Description
Catalog Number:
AG01AI99
Chemical Name:
5-(2-{[2-(2,5-dioxoimidazolidin-4-yl)ethyl]disulfanyl}ethyl)imidazolidine-2,4-dione
CAS Number:
459818-66-7
Molecular Formula:
C10H14N4O4S2
Molecular Weight:
318.3726
MDL Number:
MFCD16612833
IUPAC Name:
5-[2-[2-(2,5-dioxoimidazolidin-4-yl)ethyldisulfanyl]ethyl]imidazolidine-2,4-dione
InChI:
InChI=1S/C10H14N4O4S2/c15-7-5(11-9(17)13-7)1-3-19-20-4-2-6-8(16)14-10(18)12-6/h5-6H,1-4H2,(H2,11,13,15,17)(H2,12,14,16,18)
InChI Key:
ZSFWQLYGMPDZIZ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)NC1CCSSCCC1NC(=O)NC1=O
NSC Number:
14166
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
318.366g/mol
Monoisotopic Mass:
318.046g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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