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76950-86-2 | 1-(4-chlorobenzyl)-4,6-diphenylpyridine-2(1h)-thione
CAS No: 76950-86-2 Catalog No: AG0057PO MDL No:
Product Description
Catalog Number:
AG0057PO
Chemical Name:
1-(4-chlorobenzyl)-4,6-diphenylpyridine-2(1h)-thione
CAS Number:
76950-86-2
Molecular Formula:
C24H18ClNS
Molecular Weight:
387.9244
IUPAC Name:
1-[(4-chlorophenyl)methyl]-4,6-diphenylpyridine-2-thione
InChI:
InChI=1S/C24H18ClNS/c25-22-13-11-18(12-14-22)17-26-23(20-9-5-2-6-10-20)15-21(16-24(26)27)19-7-3-1-4-8-19/h1-16H,17H2
InChI Key:
HGKNVOIIXAGRBM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cn1c(=S)cc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.085g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.925g/mol
Monoisotopic Mass:
387.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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