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90032-49-8 | 1H-Imidazole-1-ethanol, 2,2'-dithiobis[4,5-dihydro-4-phenyl-
CAS No: 90032-49-8 Catalog No: AG006LPK MDL No:
Product Description
Catalog Number:
AG006LPK
Chemical Name:
1H-Imidazole-1-ethanol, 2,2'-dithiobis[4,5-dihydro-4-phenyl-
CAS Number:
90032-49-8
Molecular Formula:
C22H26N4O2S2
Molecular Weight:
442.5974
IUPAC Name:
2-[2-[[1-(2-hydroxyethyl)-4-phenyl-4,5-dihydroimidazol-2-yl]disulfanyl]-4-phenyl-4,5-dihydroimidazol-1-yl]ethanol
InChI:
InChI=1S/C22H26N4O2S2/c27-13-11-25-15-19(17-7-3-1-4-8-17)23-21(25)29-30-22-24-20(16-26(22)12-14-28)18-9-5-2-6-10-18/h1-10,19-20,27-28H,11-16H2
InChI Key:
ONPHLAPJEKIEJC-UHFFFAOYSA-N
SMILES:
OCCN1CC(N=C1SSC1=NC(CN1CCO)c1ccccc1)c1ccccc1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.15g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
442.596g/mol
Monoisotopic Mass:
442.15g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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