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Home > Imidazoles > 108653-34-5
108653-34-5 | 1H-Imidazolium, 1-[(decylthio)methyl]-3-ethyl-, chloride
CAS No: 108653-34-5 Catalog No: AG0083DV MDL No:
Product Description
Catalog Number:
AG0083DV
Chemical Name:
1H-Imidazolium, 1-[(decylthio)methyl]-3-ethyl-, chloride
CAS Number:
108653-34-5
Molecular Formula:
C16H33ClN2S
Molecular Weight:
320.9646
IUPAC Name:
1-(decylsulfanylmethyl)-3-ethyl-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C16H32N2S.ClH/c1-3-5-6-7-8-9-10-11-14-19-16-18-13-12-17(4-2)15-18;/h12-13H,3-11,14-16H2,1-2H3;1H
InChI Key:
CECJIIAQIGXSTC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCSC[NH+]1C=CN(C1)CC.[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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