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144452-89-1 | 1H-Imidazolium, 3-[(butylthio)methyl]-1-decyl-2-phenyl-, chloride (1:1)
CAS No: 144452-89-1 Catalog No: AG001JKG MDL No:
Product Description
Catalog Number:
AG001JKG
Chemical Name:
1H-Imidazolium, 3-[(butylthio)methyl]-1-decyl-2-phenyl-, chloride (1:1)
CAS Number:
144452-89-1
Molecular Formula:
C24H41ClN2S
Molecular Weight:
425.1137
IUPAC Name:
1-(butylsulfanylmethyl)-3-decyl-2-phenyl-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C24H40N2S.ClH/c1-3-5-7-8-9-10-11-15-18-25-19-20-26(22-27-21-6-4-2)24(25)23-16-13-12-14-17-23;/h12-14,16-17,19-20,24H,3-11,15,18,21-22H2,1-2H3;1H
InChI Key:
DHSGNCQTJNFJDG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC[NH+]1C=CN(C1c1ccccc1)CSCCCC.[Cl-]
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.268g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
425.116g/mol
Monoisotopic Mass:
424.268g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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