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Home > Imidazoles > 96338-14-6
96338-14-6 | 1H-Imidazole, 2-[[2-[(4-methylphenyl)sulfonyl]ethyl]thio]-1-phenyl-
CAS No: 96338-14-6 Catalog No: AG006RS7 MDL No:
Product Description
Catalog Number:
AG006RS7
Chemical Name:
1H-Imidazole, 2-[[2-[(4-methylphenyl)sulfonyl]ethyl]thio]-1-phenyl-
CAS Number:
96338-14-6
Molecular Formula:
C18H18N2O2S2
Molecular Weight:
358.4777
IUPAC Name:
2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-1-phenylimidazole
InChI:
InChI=1S/C18H18N2O2S2/c1-15-7-9-17(10-8-15)24(21,22)14-13-23-18-19-11-12-20(18)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3
InChI Key:
FJHJRSBQMCHISV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)CCSc1nccn1c1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.081g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.474g/mol
Monoisotopic Mass:
358.081g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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