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763123-24-6 | Quinolinium, 1-[3-(acetylthio)propyl]-4-methyl-, iodide
CAS No: 763123-24-6 Catalog No: AG005E6U MDL No:
Product Description
Catalog Number:
AG005E6U
Chemical Name:
Quinolinium, 1-[3-(acetylthio)propyl]-4-methyl-, iodide
CAS Number:
763123-24-6
Molecular Formula:
C15H18INOS
Molecular Weight:
387.2790
IUPAC Name:
S-[3-(4-methylquinolin-1-ium-1-yl)propyl] ethanethioate;iodide
InChI:
InChI=1S/C15H18NOS.HI/c1-12-8-10-16(9-5-11-18-13(2)17)15-7-4-3-6-14(12)15;/h3-4,6-8,10H,5,9,11H2,1-2H3;1H/q+1;/p-1
InChI Key:
KFUOVPMKCKQPBV-UHFFFAOYSA-M
SMILES:
CC(=O)SCCC[n+]1ccc(c2c1cccc2)C.[I-]
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.015g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.279g/mol
Monoisotopic Mass:
387.015g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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