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126484-15-9 | Phosphonium, [1-ethyl-5-(ethylthio)-2-phenyl-1H-imidazol-4-yl]triphenyl-, chloride (1:1)
CAS No: 126484-15-9 Catalog No: AG000SUX MDL No:
Product Description
Catalog Number:
AG000SUX
Chemical Name:
Phosphonium, [1-ethyl-5-(ethylthio)-2-phenyl-1H-imidazol-4-yl]triphenyl-, chloride (1:1)
CAS Number:
126484-15-9
Molecular Formula:
C31H30ClN2PS
Molecular Weight:
529.0751
IUPAC Name:
(1-ethyl-5-ethylsulfanyl-2-phenylimidazol-4-yl)-triphenylphosphanium;bromide
InChI:
InChI=1S/C31H30N2PS.BrH/c1-3-33-29(25-17-9-5-10-18-25)32-30(31(33)35-4-2)34(26-19-11-6-12-20-26,27-21-13-7-14-22-27)28-23-15-8-16-24-28;/h5-24H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
OFZIBYMQBBXVAN-UHFFFAOYSA-M
SMILES:
CCSc1n(CC)c(nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
572.105g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
573.533g/mol
Monoisotopic Mass:
572.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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