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Home > Imidazoles > 731821-84-4
731821-84-4 | 1-(2,6-dimethylphenyl)-4,5-diphenyl-1H-imidazole-2-thiol
CAS No: 731821-84-4 Catalog No: AG019IP0 MDL No:MFCD04628568
Product Description
Catalog Number:
AG019IP0
Chemical Name:
1-(2,6-dimethylphenyl)-4,5-diphenyl-1H-imidazole-2-thiol
CAS Number:
731821-84-4
Molecular Formula:
C23H20N2S
Molecular Weight:
356.4833
MDL Number:
MFCD04628568
IUPAC Name:
3-(2,6-dimethylphenyl)-4,5-diphenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C23H20N2S/c1-16-10-9-11-17(2)21(16)25-22(19-14-7-4-8-15-19)20(24-23(25)26)18-12-5-3-6-13-18/h3-15H,1-2H3,(H,24,26)
InChI Key:
WOJTYUPZYNRMML-UHFFFAOYSA-N
SMILES:
Sc1nc(c(n1c1c(C)cccc1C)c1ccccc1)c1ccccc1
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.135g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.487g/mol
Monoisotopic Mass:
356.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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