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141754-61-2 | Ethanethioamide, 2,2'-[1,2-ethanediylbis(oxy)]bis[N,N-didodecyl-
CAS No: 141754-61-2 Catalog No: AG001GZU MDL No:
Product Description
Catalog Number:
AG001GZU
Chemical Name:
Ethanethioamide, 2,2'-[1,2-ethanediylbis(oxy)]bis[N,N-didodecyl-
CAS Number:
141754-61-2
Molecular Formula:
C54H108N2O2S2
Molecular Weight:
881.5775
IUPAC Name:
2-[2-[2-(didodecylamino)-2-sulfanylideneethoxy]ethoxy]-N,N-didodecylethanethioamide
InChI:
InChI=1S/C54H108N2O2S2/c1-5-9-13-17-21-25-29-33-37-41-45-55(46-42-38-34-30-26-22-18-14-10-6-2)53(59)51-57-49-50-58-52-54(60)56(47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h5-52H2,1-4H3
InChI Key:
ZUONOYYCMQYKBW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN(C(=S)COCCOCC(=S)N(CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC
Properties
Complexity:
742
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
880.785g/mol
Formal Charge:
0
Heavy Atom Count:
60
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
881.59g/mol
Monoisotopic Mass:
880.785g/mol
Rotatable Bond Count:
51
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
22.5
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