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Home > Imidazoles > 692276-02-1
692276-02-1 | 3-benzyl-1-(4-methylphenyl)-2-thioxoimidazolidin-4-one
CAS No: 692276-02-1 Catalog No: AG00JF1Q MDL No:MFCD03721930
Product Description
Catalog Number:
AG00JF1Q
Chemical Name:
3-benzyl-1-(4-methylphenyl)-2-thioxoimidazolidin-4-one
CAS Number:
692276-02-1
Molecular Formula:
C17H16N2OS
Molecular Weight:
296.3867
MDL Number:
MFCD03721930
IUPAC Name:
3-benzyl-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C17H16N2OS/c1-13-7-9-15(10-8-13)18-12-16(20)19(17(18)21)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChI Key:
GYBIMYXHRURYEE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1CC(=O)N(C1=S)Cc1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.388g/mol
Monoisotopic Mass:
296.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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