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85109-30-4 | Piperidinium, 1-[2-(acetylthio)ethyl]-1,2-dimethyl-, iodide
CAS No: 85109-30-4 Catalog No: AG004XJF MDL No:
Product Description
Catalog Number:
AG004XJF
Chemical Name:
Piperidinium, 1-[2-(acetylthio)ethyl]-1,2-dimethyl-, iodide
CAS Number:
85109-30-4
Molecular Formula:
C11H22INOS
Molecular Weight:
343.2680
IUPAC Name:
S-[2-(1,2-dimethylpiperidin-1-ium-1-yl)ethyl] ethanethioate;iodide
InChI:
InChI=1S/C11H22NOS.HI/c1-10-6-4-5-7-12(10,3)8-9-14-11(2)13;/h10H,4-9H2,1-3H3;1H/q+1;/p-1
InChI Key:
KLTYOPPBQALSCD-UHFFFAOYSA-M
SMILES:
CC(=O)SCC[N+]1(C)CCCCC1C.[I-]
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.267g/mol
Monoisotopic Mass:
343.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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