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89270-01-9 | Piperidinium, 1-[2-(acetylthio)propyl]-1,2-dimethyl-, iodide
CAS No: 89270-01-9 Catalog No: AG004197 MDL No:
Product Description
Catalog Number:
AG004197
Chemical Name:
Piperidinium, 1-[2-(acetylthio)propyl]-1,2-dimethyl-, iodide
CAS Number:
89270-01-9
Molecular Formula:
C12H24INOS
Molecular Weight:
357.2945
IUPAC Name:
S-[1-(1,2-dimethylpiperidin-1-ium-1-yl)propan-2-yl] ethanethioate;iodide
InChI:
InChI=1S/C12H24NOS.HI/c1-10-7-5-6-8-13(10,4)9-11(2)15-12(3)14;/h10-11H,5-9H2,1-4H3;1H/q+1;/p-1
InChI Key:
PILJGDUWLZOLOJ-UHFFFAOYSA-M
SMILES:
CC(C[N+]1(C)CCCCC1C)SC(=O)C.[I-]
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.294g/mol
Monoisotopic Mass:
357.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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