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Home > Imidazoles > 89823-06-3
89823-06-3 | 1H-Imidazolium, 1-butyl-3-[(octylthio)methyl]-, chloride
CAS No: 89823-06-3 Catalog No: AG003Z2P MDL No:
Product Description
Catalog Number:
AG003Z2P
Chemical Name:
1H-Imidazolium, 1-butyl-3-[(octylthio)methyl]-, chloride
CAS Number:
89823-06-3
Molecular Formula:
C16H33ClN2S
Molecular Weight:
320.9646
IUPAC Name:
1-butyl-3-(octylsulfanylmethyl)-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C16H32N2S.ClH/c1-3-5-7-8-9-10-14-19-16-18-13-12-17(15-18)11-6-4-2;/h12-13H,3-11,14-16H2,1-2H3;1H
InChI Key:
OHYBYMFRCQYBIS-UHFFFAOYSA-N
SMILES:
CCCCCCCCSCN1C=C[NH+](C1)CCCC.[Cl-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.205g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.964g/mol
Monoisotopic Mass:
320.205g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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