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Home > Imidazoles > 89823-07-4
89823-07-4 | 1H-Imidazolium, 1-butyl-3-[(dodecylthio)methyl]-, chloride
CAS No: 89823-07-4 Catalog No: AG003Z2O MDL No:
Product Description
Catalog Number:
AG003Z2O
Chemical Name:
1H-Imidazolium, 1-butyl-3-[(dodecylthio)methyl]-, chloride
CAS Number:
89823-07-4
Molecular Formula:
C20H41ClN2S
Molecular Weight:
377.0709
IUPAC Name:
1-butyl-3-(dodecylsulfanylmethyl)-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C20H40N2S.ClH/c1-3-5-7-8-9-10-11-12-13-14-18-23-20-22-17-16-21(19-22)15-6-4-2;/h16-17H,3-15,18-20H2,1-2H3;1H
InChI Key:
KOCUECPIYKZEGW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSCN1C=C[NH+](C1)CCCC.[Cl-]
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.268g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.072g/mol
Monoisotopic Mass:
376.268g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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