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Home > Imidazoles > 89823-04-1
89823-04-1 | 1H-Imidazolium, 1-butyl-3-[(butylthio)methyl]-, chloride
CAS No: 89823-04-1 Catalog No: AG003XMM MDL No:
Product Description
Catalog Number:
AG003XMM
Chemical Name:
1H-Imidazolium, 1-butyl-3-[(butylthio)methyl]-, chloride
CAS Number:
89823-04-1
Molecular Formula:
C12H25ClN2S
Molecular Weight:
264.8583
IUPAC Name:
1-butyl-3-(butylsulfanylmethyl)-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C12H24N2S.ClH/c1-3-5-7-13-8-9-14(11-13)12-15-10-6-4-2;/h8-9H,3-7,10-12H2,1-2H3;1H
InChI Key:
VSQIEAQZPLABFQ-UHFFFAOYSA-N
SMILES:
CCCCSCN1C=C[NH+](C1)CCCC.[Cl-]
Properties
Complexity:
183
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:
8
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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