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Home > Fluorides > 115889-90-2
115889-90-2 | 1H-Imidazole, 4-(4-fluorophenyl)-1-methyl-2-(methylthio)-
CAS No: 115889-90-2 Catalog No: AG000H2G MDL No:
Product Description
Catalog Number:
AG000H2G
Chemical Name:
1H-Imidazole, 4-(4-fluorophenyl)-1-methyl-2-(methylthio)-
CAS Number:
115889-90-2
Molecular Formula:
C11H11FN2S
Molecular Weight:
222.2818
IUPAC Name:
4-(4-fluorophenyl)-1-methyl-2-methylsulfanylimidazole
InChI:
InChI=1S/C11H11FN2S/c1-14-7-10(13-11(14)15-2)8-3-5-9(12)6-4-8/h3-7H,1-2H3
InChI Key:
RREBBXGZAPOHJF-UHFFFAOYSA-N
SMILES:
CSc1nc(cn1C)c1ccc(cc1)F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.281g/mol
Monoisotopic Mass:
222.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Novel thiophenes and analogues with anthelmintic activity against Haemonchus contortus. | Bioorganic & medicinal chemistry letters 20040802 |
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