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Home > Imidazoles > 139007-41-3
139007-41-3 | Benzenethiol, 4-[2-(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-
CAS No: 139007-41-3 Catalog No: AG0019ZX MDL No:
Product Description
Catalog Number:
AG0019ZX
Chemical Name:
Benzenethiol, 4-[2-(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-
CAS Number:
139007-41-3
Molecular Formula:
C21H16N4S
Molecular Weight:
356.4435
IUPAC Name:
4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]benzenethiol
InChI:
InChI=1S/C21H16N4S/c26-18-13-11-17(12-14-18)24-25-21-22-19(15-7-3-1-4-8-15)20(23-21)16-9-5-2-6-10-16/h1-14,26H,(H,22,23)
InChI Key:
JXGJCSSKVDWXPW-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1)N=Nc1nc(c([nH]1)c1ccccc1)c1ccccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.447g/mol
Monoisotopic Mass:
356.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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