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296247-98-8 | Diazene, 1-[4-[[12-(dodecyldithio)dodecyl]oxy]phenyl]-2-(4-hexylphenyl)-
CAS No: 296247-98-8 Catalog No: AG002YXF MDL No:
Product Description
Catalog Number:
AG002YXF
Chemical Name:
Diazene, 1-[4-[[12-(dodecyldithio)dodecyl]oxy]phenyl]-2-(4-hexylphenyl)-
CAS Number:
296247-98-8
Molecular Formula:
C42H70N2OS2
Molecular Weight:
683.1480
IUPAC Name:
[4-[12-(dodecyldisulfanyl)dodecoxy]phenyl]-(4-hexylphenyl)diazene
InChI:
InChI=1S/C42H70N2OS2/c1-3-5-7-9-10-11-15-18-21-25-37-46-47-38-26-22-19-16-13-12-14-17-20-24-36-45-42-34-32-41(33-35-42)44-43-40-30-28-39(29-31-40)27-23-8-6-4-2/h28-35H,3-27,36-38H2,1-2H3
InChI Key:
HCWUBBQMDBSHSR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSSCCCCCCCCCCCCOc1ccc(cc1)N=Nc1ccc(cc1)CCCCCC
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
682.493g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
683.155g/mol
Monoisotopic Mass:
682.493g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.6
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