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88753-51-9 | Pyridine, 3,3'-azoxybis[6-(propylthio)-
CAS No: 88753-51-9 Catalog No: AG004F58 MDL No:
Product Description
Catalog Number:
AG004F58
Chemical Name:
Pyridine, 3,3'-azoxybis[6-(propylthio)-
CAS Number:
88753-51-9
Molecular Formula:
C16H20N4OS2
Molecular Weight:
348.4862
IUPAC Name:
oxido-(6-propylsulfanylpyridin-3-yl)-(6-propylsulfanylpyridin-3-yl)iminoazanium
InChI:
InChI=1S/C16H20N4OS2/c1-3-9-22-15-7-5-13(11-17-15)19-20(21)14-6-8-16(18-12-14)23-10-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3
InChI Key:
PZBBNMJWWXDCHB-UHFFFAOYSA-N
SMILES:
CCCSc1ccc(cn1)N=[N+](c1ccc(nc1)SCCC)[O-]
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.108g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.483g/mol
Monoisotopic Mass:
348.108g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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