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Home > Imidazoles > 89949-43-9
89949-43-9 | 1H-Imidazolium, 1-ethyl-3-[(pentylthio)methyl]-, chloride
CAS No: 89949-43-9 Catalog No: AG006NG9 MDL No:
Product Description
Catalog Number:
AG006NG9
Chemical Name:
1H-Imidazolium, 1-ethyl-3-[(pentylthio)methyl]-, chloride
CAS Number:
89949-43-9
Molecular Formula:
C11H23ClN2S
Molecular Weight:
250.8317
IUPAC Name:
1-ethyl-3-(pentylsulfanylmethyl)-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C11H22N2S.ClH/c1-3-5-6-9-14-11-13-8-7-12(4-2)10-13;/h7-8H,3-6,9-11H2,1-2H3;1H
InChI Key:
BXGSCMGYLRPZSA-UHFFFAOYSA-N
SMILES:
CCCCCSCN1C=C[NH+](C1)CC.[Cl-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.829g/mol
Monoisotopic Mass:
250.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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