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Home > Imidazoles > 89823-05-2
89823-05-2 | 1H-Imidazolium, 1-butyl-3-[(hexylthio)methyl]-, chloride
CAS No: 89823-05-2 Catalog No: AG003Z2Q MDL No:
Product Description
Catalog Number:
AG003Z2Q
Chemical Name:
1H-Imidazolium, 1-butyl-3-[(hexylthio)methyl]-, chloride
CAS Number:
89823-05-2
Molecular Formula:
C14H29ClN2S
Molecular Weight:
292.9115
IUPAC Name:
1-butyl-3-(hexylsulfanylmethyl)-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C14H28N2S.ClH/c1-3-5-7-8-12-17-14-16-11-10-15(13-16)9-6-4-2;/h10-11H,3-9,12-14H2,1-2H3;1H
InChI Key:
ZCNQNDRIRAVBGJ-UHFFFAOYSA-N
SMILES:
CCCCCCSCN1C=C[NH+](C1)CCCC.[Cl-]
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.174g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.91g/mol
Monoisotopic Mass:
292.174g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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