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Home > Fluorides > 116609-89-3
116609-89-3 | 2-Propen-1-one, 1-(3-fluorophenyl)-3,3-bis(methylthio)-
CAS No: 116609-89-3 Catalog No: AG000CUW MDL No:
Product Description
Catalog Number:
AG000CUW
Chemical Name:
2-Propen-1-one, 1-(3-fluorophenyl)-3,3-bis(methylthio)-
CAS Number:
116609-89-3
Molecular Formula:
C11H11FOS2
Molecular Weight:
242.3328
IUPAC Name:
1-(3-fluorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
InChI:
InChI=1S/C11H11FOS2/c1-14-11(15-2)7-10(13)8-4-3-5-9(12)6-8/h3-7H,1-2H3
InChI Key:
CGGPQWFRUOOXFA-UHFFFAOYSA-N
SMILES:
CSC(=CC(=O)c1cccc(c1)F)SC
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.326g/mol
Monoisotopic Mass:
242.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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