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Home > Fluorides > 748817-99-4
748817-99-4 | 3-(4-Fluorophenyl)phenyl methyl sulfide
CAS No: 748817-99-4 Catalog No: AG01EXA0 MDL No:
Product Description
Catalog Number:
AG01EXA0
Chemical Name:
3-(4-Fluorophenyl)phenyl methyl sulfide
CAS Number:
748817-99-4
Molecular Formula:
C13H11FS
Molecular Weight:
218.2898
IUPAC Name:
1-fluoro-4-(3-methylsulfanylphenyl)benzene
InChI:
InChI=1S/C13H11FS/c1-15-13-4-2-3-11(9-13)10-5-7-12(14)8-6-10/h2-9H,1H3
InChI Key:
DFJIDXPKQCOLEP-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)c1ccc(cc1)F
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.289g/mol
Monoisotopic Mass:
218.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Novel thiophenes and analogues with anthelmintic activity against Haemonchus contortus. | Bioorganic & medicinal chemistry letters 20040802 |
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