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87981-25-7 | Quinolinium, 6-(diethylphosphinothioyl)-1-ethyl-4-methyl-, iodide
CAS No: 87981-25-7 Catalog No: AG004OUE MDL No:
Product Description
Catalog Number:
AG004OUE
Chemical Name:
Quinolinium, 6-(diethylphosphinothioyl)-1-ethyl-4-methyl-, iodide
CAS Number:
87981-25-7
Molecular Formula:
C16H23INPS
Molecular Weight:
419.3038
IUPAC Name:
diethyl-(1-ethyl-4-methylquinolin-1-ium-6-yl)-sulfanylidene-λ5-phosphane;iodide
InChI:
InChI=1S/C16H23NPS.HI/c1-5-17-11-10-13(4)15-12-14(8-9-16(15)17)18(19,6-2)7-3;/h8-12H,5-7H2,1-4H3;1H/q+1;/p-1
InChI Key:
NLHBRDARFBFNAZ-UHFFFAOYSA-M
SMILES:
CC[n+]1ccc(c2c1ccc(c2)P(=S)(CC)CC)C.[I-]
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.033g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.305g/mol
Monoisotopic Mass:
419.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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