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Home > Imidazoles > 6966-51-4
6966-51-4 | Ethanone,2-[2-(methylthio)-4-phenyl-1H-imidazol-1-yl]-1-phenyl-
CAS No: 6966-51-4 Catalog No: AG005V46 MDL No:
Product Description
Catalog Number:
AG005V46
Chemical Name:
Ethanone,2-[2-(methylthio)-4-phenyl-1H-imidazol-1-yl]-1-phenyl-
CAS Number:
6966-51-4
Molecular Formula:
C18H16N2OS
Molecular Weight:
308.3974
IUPAC Name:
2-(2-methylsulfanyl-4-phenylimidazol-1-yl)-1-phenylethanone
InChI:
InChI=1S/C18H16N2OS/c1-22-18-19-16(14-8-4-2-5-9-14)12-20(18)13-17(21)15-10-6-3-7-11-15/h2-12H,13H2,1H3
InChI Key:
YKMIRIHGPRNXSX-UHFFFAOYSA-N
SMILES:
CSc1nc(cn1CC(=O)c1ccccc1)c1ccccc1
NSC Number:
18952
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.399g/mol
Monoisotopic Mass:
308.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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