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16766-10-2 | Benzamide, N,N'-(dithiodi-4,1-phenylene)bis-
CAS No: 16766-10-2 Catalog No: AG007COU MDL No:
Product Description
Catalog Number:
AG007COU
Chemical Name:
Benzamide, N,N'-(dithiodi-4,1-phenylene)bis-
CAS Number:
16766-10-2
Molecular Formula:
C26H20N2O2S2
Molecular Weight:
456.5792
IUPAC Name:
N-[4-[(4-benzamidophenyl)disulfanyl]phenyl]benzamide
InChI:
InChI=1S/C26H20N2O2S2/c29-25(19-7-3-1-4-8-19)27-21-11-15-23(16-12-21)31-32-24-17-13-22(14-18-24)28-26(30)20-9-5-2-6-10-20/h1-18H,(H,27,29)(H,28,30)
InChI Key:
WHEOIEDUQSMVTO-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc(cc1)SSc1ccc(cc1)NC(=O)c1ccccc1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.097g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
456.578g/mol
Monoisotopic Mass:
456.097g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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