4-phenyl-5-(2-phenylquinolin-4-yl)-2H-1,2,4-triazole-3-thione


Chemical Name: 4-phenyl-5-(2-phenylquinolin-4-yl)-2H-1,2,4-triazole-3-thione
CAS Number: 70059-80-2
Product Number: AG0064O9(AGN-PC-0KG7IJ)
Synonyms:
MDL No:
Molecular Formula: C23H16N4S
Molecular Weight: 380.4649

Identification/Properties


Computed Properties
Molecular Weight:
380.469g/mol
XLogP3:
5.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
380.11g/mol
Monoisotopic Mass:
380.11g/mol
Topological Polar Surface Area:
72.6A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
593
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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