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Home > Fluorides > 1000574-44-6
1000574-44-6 | 2-(4-Fluorobenzylidene)-5-(methylthio)thiophen-3(2H)-one
CAS No: 1000574-44-6 Catalog No: AG01F7DS MDL No:
Product Description
Catalog Number:
AG01F7DS
Chemical Name:
2-(4-Fluorobenzylidene)-5-(methylthio)thiophen-3(2H)-one
CAS Number:
1000574-44-6
Molecular Formula:
C12H9FOS2
Molecular Weight:
252.3277
IUPAC Name:
(2E)-2-[(4-fluorophenyl)methylidene]-5-methylsulfanylthiophen-3-one
InChI:
InChI=1S/C12H9FOS2/c1-15-12-7-10(14)11(16-12)6-8-2-4-9(13)5-3-8/h2-7H,1H3/b11-6+
InChI Key:
NVFDEXAIINHPDH-IZZDOVSWSA-N
SMILES:
CSC1=CC(=O)/C(=C\c2ccc(cc2)F)/S1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
3.5
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