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88255-32-7 | Pyridinium, 1-[(hexadecylthio)methyl]-3,5-dimethyl-, chloride
CAS No: 88255-32-7 Catalog No: AG004AXN MDL No:
Product Description
Catalog Number:
AG004AXN
Chemical Name:
Pyridinium, 1-[(hexadecylthio)methyl]-3,5-dimethyl-, chloride
CAS Number:
88255-32-7
Molecular Formula:
C24H44ClNS
Molecular Weight:
414.1309
IUPAC Name:
1-(hexadecylsulfanylmethyl)-3,5-dimethylpyridin-1-ium;chloride
InChI:
InChI=1S/C24H44NS.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-22-25-20-23(2)19-24(3)21-25;/h19-21H,4-18,22H2,1-3H3;1H/q+1;/p-1
InChI Key:
KTRKHAOCMZYYFX-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCSC[n+]1cc(C)cc(c1)C.[Cl-]
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.288g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.133g/mol
Monoisotopic Mass:
413.288g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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