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Home > Imidazoles > 89823-03-0
89823-03-0 | 1H-Imidazolium, 1-[(dodecylthio)methyl]-2,3-dimethyl-, chloride
CAS No: 89823-03-0 Catalog No: AG003XMN MDL No:
Product Description
Catalog Number:
AG003XMN
Chemical Name:
1H-Imidazolium, 1-[(dodecylthio)methyl]-2,3-dimethyl-, chloride
CAS Number:
89823-03-0
Molecular Formula:
C18H37ClN2S
Molecular Weight:
349.0178
IUPAC Name:
1-(dodecylsulfanylmethyl)-2,3-dimethyl-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C18H36N2S.ClH/c1-4-5-6-7-8-9-10-11-12-13-16-21-17-20-15-14-19(3)18(20)2;/h14-15,18H,4-13,16-17H2,1-3H3;1H
InChI Key:
WPNAQKYMRRXYFI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSC[NH+]1C=CN(C1C)C.[Cl-]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.237g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.018g/mol
Monoisotopic Mass:
348.237g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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