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138042-92-9 | Quinoline, 8,8'-dithiobis[5-phenoxy- (9CI)
CAS No: 138042-92-9 Catalog No: AG0017WO MDL No:
Product Description
Catalog Number:
AG0017WO
Chemical Name:
Quinoline, 8,8'-dithiobis[5-phenoxy- (9CI)
CAS Number:
138042-92-9
Molecular Formula:
C30H20N2O2S2
Molecular Weight:
504.6220
IUPAC Name:
5-phenoxy-8-[(5-phenoxyquinolin-8-yl)disulfanyl]quinoline
InChI:
InChI=1S/C30H20N2O2S2/c1-3-9-21(10-4-1)33-25-15-17-27(29-23(25)13-7-19-31-29)35-36-28-18-16-26(24-14-8-20-32-30(24)28)34-22-11-5-2-6-12-22/h1-20H
InChI Key:
HJBMVFGAHCTVFD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1ccc(c2c1cccn2)SSc1ccc(c2c1nccc2)Oc1ccccc1
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.097g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.622g/mol
Monoisotopic Mass:
504.097g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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