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109043-42-7 | 4,4'-(Thiodiethylene)bis[4-methylmorpholiniumiodide] (6CI)
CAS No: 109043-42-7 Catalog No: AG007BIU MDL No:
Product Description
Catalog Number:
AG007BIU
Chemical Name:
4,4'-(Thiodiethylene)bis[4-methylmorpholiniumiodide] (6CI)
CAS Number:
109043-42-7
Molecular Formula:
C14H30I2N2O2S
Molecular Weight:
544.2741
IUPAC Name:
4-methyl-4-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylsulfanyl]ethyl]morpholin-4-ium;diiodide
InChI:
InChI=1S/C14H30N2O2S.2HI/c1-15(3-9-17-10-4-15)7-13-19-14-8-16(2)5-11-18-12-6-16;;/h3-14H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
LMVZVKIHWZTRGW-UHFFFAOYSA-L
SMILES:
C[N+]1(CCSCC[N+]2(C)CCOCC2)CCOCC1.[I-].[I-]
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.012g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
544.275g/mol
Monoisotopic Mass:
544.012g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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