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85109-38-2 | Piperidinium, 1-[2-(acetylthio)ethyl]-1,4-dimethyl-, iodide
CAS No: 85109-38-2 Catalog No: AG004RE4 MDL No:
Product Description
Catalog Number:
AG004RE4
Chemical Name:
Piperidinium, 1-[2-(acetylthio)ethyl]-1,4-dimethyl-, iodide
CAS Number:
85109-38-2
Molecular Formula:
C11H22INOS
Molecular Weight:
343.2679
IUPAC Name:
S-[2-(1,4-dimethylpiperidin-1-ium-1-yl)ethyl] ethanethioate;iodide
InChI:
InChI=1S/C11H22NOS.HI/c1-10-4-6-12(3,7-5-10)8-9-14-11(2)13;/h10H,4-9H2,1-3H3;1H/q+1;/p-1
InChI Key:
JPZWWEPIXRHZGO-UHFFFAOYSA-M
SMILES:
CC1CC[N+](CC1)(C)CCSC(=O)C.[I-]
Properties
Complexity:
198
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:
0
Undefined Bond Stereocenter Count:
0
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