200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 128814-39-1
128814-39-1 | 1H-Imidazolium, 1-butyl-3-[(decylthio)methyl]-2-phenyl-, chloride (1:1)
CAS No: 128814-39-1 Catalog No: AG000YFE MDL No:
Product Description
Catalog Number:
AG000YFE
Chemical Name:
1H-Imidazolium, 1-butyl-3-[(decylthio)methyl]-2-phenyl-, chloride (1:1)
CAS Number:
128814-39-1
Molecular Formula:
C24H41ClN2S
Molecular Weight:
425.1137
IUPAC Name:
1-butyl-3-(decylsulfanylmethyl)-2-phenyl-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C24H40N2S.ClH/c1-3-5-7-8-9-10-11-15-21-27-22-26-20-19-25(18-6-4-2)24(26)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:
CLQXQIHHSQKXAN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCSCN1C=C[NH+](C1c1ccccc1)CCCC.[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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.