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832151-18-5 | 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-phenyl-4-quinolinyl)-
CAS No: 832151-18-5 Catalog No: AG008IY4 MDL No:
Product Description
Catalog Number:
AG008IY4
Chemical Name:
3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-phenyl-4-quinolinyl)-
CAS Number:
832151-18-5
Molecular Formula:
C17H12N4S
Molecular Weight:
304.3690
IUPAC Name:
5-(2-phenylquinolin-4-yl)-1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C17H12N4S/c22-17-19-16(20-21-17)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H2,19,20,21,22)
InChI Key:
MBVCYFWQWACEEX-UHFFFAOYSA-N
SMILES:
S=c1[nH][nH]c(n1)c1cc(nc2c1cccc2)c1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.371g/mol
Monoisotopic Mass:
304.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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