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Home > Imidazoles > 125219-50-3
125219-50-3 | 4-Imidazolidinone, 1-ethyl-3-(2-phenylethyl)-2-thioxo-
CAS No: 125219-50-3 Catalog No: AG000NCI MDL No:
Product Description
Catalog Number:
AG000NCI
Chemical Name:
4-Imidazolidinone, 1-ethyl-3-(2-phenylethyl)-2-thioxo-
CAS Number:
125219-50-3
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
IUPAC Name:
1-ethyl-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C13H16N2OS/c1-2-14-10-12(16)15(13(14)17)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChI Key:
UWFGYMNXGVIRTG-UHFFFAOYSA-N
SMILES:
CCN1CC(=O)N(C1=S)CCc1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and biological evaluation of thio-containing compounds with serum HDL-cholesterol-elevating properties. | Journal of medicinal chemistry 20040129 |
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