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Home > Imidazoles > 50596-61-7
50596-61-7 | 1H-Imidazole, 4,5-diphenyl-2-[(phenylmethyl)thio]-
CAS No: 50596-61-7 Catalog No: AG006XCS MDL No:
Product Description
Catalog Number:
AG006XCS
Chemical Name:
1H-Imidazole, 4,5-diphenyl-2-[(phenylmethyl)thio]-
CAS Number:
50596-61-7
Molecular Formula:
C22H18N2S
Molecular Weight:
342.4567
IUPAC Name:
2-benzylsulfanyl-4,5-diphenyl-1H-imidazole
InChI:
InChI=1S/C22H18N2S/c1-4-10-17(11-5-1)16-25-22-23-20(18-12-6-2-7-13-18)21(24-22)19-14-8-3-9-15-19/h1-15H,16H2,(H,23,24)
InChI Key:
ROTUJQFQEFHPJK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSc1nc(c([nH]1)c1ccccc1)c1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.46g/mol
Monoisotopic Mass:
342.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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