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88753-48-4 | Pyridine,3,3'-azoxybis[2,6-bis(propylthio)- (9CI)
CAS No: 88753-48-4 Catalog No: AG004CO4 MDL No:
Product Description
Catalog Number:
AG004CO4
Chemical Name:
Pyridine,3,3'-azoxybis[2,6-bis(propylthio)- (9CI)
CAS Number:
88753-48-4
Molecular Formula:
C22H32N4OS4
Molecular Weight:
496.7757
IUPAC Name:
[2,6-bis(propylsulfanyl)pyridin-3-yl]-[2,6-bis(propylsulfanyl)pyridin-3-yl]imino-oxidoazanium
InChI:
InChI=1S/C22H32N4OS4/c1-5-13-28-19-11-9-17(21(23-19)30-15-7-3)25-26(27)18-10-12-20(29-14-6-2)24-22(18)31-16-8-4/h9-12H,5-8,13-16H2,1-4H3
InChI Key:
BAHPACQJDKNSOZ-UHFFFAOYSA-N
SMILES:
CCCSc1ccc(c(n1)SCCC)/N=[N+](/c1ccc(nc1SCCC)SCCC)\[O-]
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.146g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
496.765g/mol
Monoisotopic Mass:
496.146g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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