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Home > Imidazoles > 78873-70-8
78873-70-8 | 1H-Imidazolium, 1-methyl-3-[(tetradecylthio)methyl]-, chloride
CAS No: 78873-70-8 Catalog No: AG005531 MDL No:
Product Description
Catalog Number:
AG005531
Chemical Name:
1H-Imidazolium, 1-methyl-3-[(tetradecylthio)methyl]-, chloride
CAS Number:
78873-70-8
Molecular Formula:
C19H39ClN2S
Molecular Weight:
363.0444
IUPAC Name:
1-methyl-3-(tetradecylsulfanylmethyl)-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C19H38N2S.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22-19-21-16-15-20(2)18-21;/h15-16H,3-14,17-19H2,1-2H3;1H
InChI Key:
KPFHISQFLZUQME-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCSCN1C=C[NH+](C1)C.[Cl-]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.252g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.045g/mol
Monoisotopic Mass:
362.252g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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