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Home > Imidazoles > 89823-01-8
89823-01-8 | 1H-Imidazolium, 1-[(hexylthio)methyl]-2,3-dimethyl-, chloride
CAS No: 89823-01-8 Catalog No: AG003Z2R MDL No:
Product Description
Catalog Number:
AG003Z2R
Chemical Name:
1H-Imidazolium, 1-[(hexylthio)methyl]-2,3-dimethyl-, chloride
CAS Number:
89823-01-8
Molecular Formula:
C12H25ClN2S
Molecular Weight:
264.8583
IUPAC Name:
1-(hexylsulfanylmethyl)-2,3-dimethyl-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C12H24N2S.ClH/c1-4-5-6-7-10-15-11-14-9-8-13(3)12(14)2;/h8-9,12H,4-7,10-11H2,1-3H3;1H
InChI Key:
ZLHUWNLSUYETAD-UHFFFAOYSA-N
SMILES:
CCCCCCSC[NH+]1C=CN(C1C)C.[Cl-]
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.856g/mol
Monoisotopic Mass:
264.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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