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109448-47-7 | (Thiodiethylene)bis[triethylammoniumiodide] (6CI)
CAS No: 109448-47-7 Catalog No: AG007AWI MDL No:
Product Description
Catalog Number:
AG007AWI
Chemical Name:
(Thiodiethylene)bis[triethylammoniumiodide] (6CI)
CAS Number:
109448-47-7
Molecular Formula:
C16H38I2N2S
Molecular Weight:
544.3603
IUPAC Name:
triethyl-[2-[2-(triethylazaniumyl)ethylsulfanyl]ethyl]azanium;diiodide
InChI:
InChI=1S/C16H38N2S.2HI/c1-7-17(8-2,9-3)13-15-19-16-14-18(10-4,11-5)12-6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
IVZQEYPPCBZTOY-UHFFFAOYSA-L
SMILES:
CC[N+](CCSCC[N+](CC)(CC)CC)(CC)CC.[I-].[I-]
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
544.363g/mol
Monoisotopic Mass:
544.085g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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