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88753-50-8 | Pyridine, 3,3'-azoxybis[2,6-bis[(4-methoxyphenyl)thio]-
CAS No: 88753-50-8 Catalog No: AG004F59 MDL No:
Product Description
Catalog Number:
AG004F59
Chemical Name:
Pyridine, 3,3'-azoxybis[2,6-bis[(4-methoxyphenyl)thio]-
CAS Number:
88753-50-8
Molecular Formula:
C38H32N4O5S4
Molecular Weight:
752.9445
IUPAC Name:
[2,6-bis[(4-methoxyphenyl)sulfanyl]pyridin-3-yl]-[2,6-bis[(4-methoxyphenyl)sulfanyl]pyridin-3-yl]imino-oxidoazanium
InChI:
InChI=1S/C38H32N4O5S4/c1-44-25-5-13-29(14-6-25)48-35-23-21-33(37(39-35)50-31-17-9-27(46-3)10-18-31)41-42(43)34-22-24-36(49-30-15-7-26(45-2)8-16-30)40-38(34)51-32-19-11-28(47-4)12-20-32/h5-24H,1-4H3
InChI Key:
YJKRHZCIQSNBIK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Sc1nc(ccc1N=[N+](c1ccc(nc1Sc1ccc(cc1)OC)Sc1ccc(cc1)OC)[O-])Sc1ccc(cc1)OC
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
752.126g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
752.937g/mol
Monoisotopic Mass:
752.126g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
205A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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