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102069-72-7 | 1H-Imidazolium, 1-decyl-3-[(hexylthio)methyl]-, chloride (1:1)
CAS No: 102069-72-7 Catalog No: AG0006IH MDL No:
Product Description
Catalog Number:
AG0006IH
Chemical Name:
1H-Imidazolium, 1-decyl-3-[(hexylthio)methyl]-, chloride (1:1)
CAS Number:
102069-72-7
Molecular Formula:
C20H41ClN2S
Molecular Weight:
377.0709
IUPAC Name:
1-decyl-3-(hexylsulfanylmethyl)-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C20H40N2S.ClH/c1-3-5-7-9-10-11-12-13-15-21-16-17-22(19-21)20-23-18-14-8-6-4-2;/h16-17H,3-15,18-20H2,1-2H3;1H
InChI Key:
SVRAOBKEYJXFON-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC[NH+]1C=CN(C1)CSCCCCCC.[Cl-]
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.268g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.072g/mol
Monoisotopic Mass:
376.268g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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