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85109-28-0 | Morpholinium, 4-methyl-4-[2-[(1-oxobutyl)thio]ethyl]-, iodide
CAS No: 85109-28-0 Catalog No: AG004RE8 MDL No:
Product Description
Catalog Number:
AG004RE8
Chemical Name:
Morpholinium, 4-methyl-4-[2-[(1-oxobutyl)thio]ethyl]-, iodide
CAS Number:
85109-28-0
Molecular Formula:
C11H22INO2S
Molecular Weight:
359.2674
IUPAC Name:
S-[2-(4-methylmorpholin-4-ium-4-yl)ethyl] butanethioate;iodide
InChI:
InChI=1S/C11H22NO2S.HI/c1-3-4-11(13)15-10-7-12(2)5-8-14-9-6-12;/h3-10H2,1-2H3;1H/q+1;/p-1
InChI Key:
PYKBOJONVQLDAH-UHFFFAOYSA-M
SMILES:
CCCC(=O)SCC[N+]1(C)CCOCC1.[I-]
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.266g/mol
Monoisotopic Mass:
359.042g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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