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Home > Fluorides > 1000574-26-4
1000574-26-4 | 2-(4-Fluorophenyl)-6-methylthio-4H-thiopyran-4-one
CAS No: 1000574-26-4 Catalog No: AG01F8WY MDL No:
Product Description
Catalog Number:
AG01F8WY
Chemical Name:
2-(4-Fluorophenyl)-6-methylthio-4H-thiopyran-4-one
CAS Number:
1000574-26-4
Molecular Formula:
C12H9FOS2
Molecular Weight:
252.3277
IUPAC Name:
2-(4-fluorophenyl)-6-methylsulfanylthiopyran-4-one
InChI:
InChI=1S/C12H9FOS2/c1-15-12-7-10(14)6-11(16-12)8-2-4-9(13)5-3-8/h2-7H,1H3
InChI Key:
UTQDNVQJKIUAJM-UHFFFAOYSA-N
SMILES:
CSc1cc(=O)cc(s1)c1ccc(cc1)F
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.008g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.321g/mol
Monoisotopic Mass:
252.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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