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89269-96-5 | Morpholinium, 4-[2-(acetylthio)ethyl]-4-methyl-, iodide
CAS No: 89269-96-5 Catalog No: AG0041PV MDL No:
Product Description
Catalog Number:
AG0041PV
Chemical Name:
Morpholinium, 4-[2-(acetylthio)ethyl]-4-methyl-, iodide
CAS Number:
89269-96-5
Molecular Formula:
C9H18INO2S
Molecular Weight:
331.2142
IUPAC Name:
S-[2-(4-methylmorpholin-4-ium-4-yl)ethyl] ethanethioate;iodide
InChI:
InChI=1S/C9H18NO2S.HI/c1-9(11)13-8-5-10(2)3-6-12-7-4-10;/h3-8H2,1-2H3;1H/q+1;/p-1
InChI Key:
AOMUSFSKOZBHPO-UHFFFAOYSA-M
SMILES:
CC(=O)SCC[N+]1(C)CCOCC1.[I-]
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.212g/mol
Monoisotopic Mass:
331.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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