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89269-98-7 | Piperidinium, 1-[2-(acetylthio)propyl]-1-methyl-, iodide
CAS No: 89269-98-7 Catalog No: AG004198 MDL No:
Product Description
Catalog Number:
AG004198
Chemical Name:
Piperidinium, 1-[2-(acetylthio)propyl]-1-methyl-, iodide
CAS Number:
89269-98-7
Molecular Formula:
C11H22INOS
Molecular Weight:
343.2679
IUPAC Name:
S-[1-(1-methylpiperidin-1-ium-1-yl)propan-2-yl] ethanethioate;iodide
InChI:
InChI=1S/C11H22NOS.HI/c1-10(14-11(2)13)9-12(3)7-5-4-6-8-12;/h10H,4-9H2,1-3H3;1H/q+1;/p-1
InChI Key:
GZFXWGDISDEUKT-UHFFFAOYSA-M
SMILES:
CC(C[N+]1(C)CCCCC1)SC(=O)C.[I-]
Properties
Complexity:
200
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:
1
Undefined Bond Stereocenter Count:
0
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