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Home > Fluorides > 116609-90-6
116609-90-6 | 2-Propen-1-one, 3,3-bis(methylthio)-1-[2-(trifluoromethyl)phenyl]-
CAS No: 116609-90-6 Catalog No: AG000CUV MDL No:
Product Description
Catalog Number:
AG000CUV
Chemical Name:
2-Propen-1-one, 3,3-bis(methylthio)-1-[2-(trifluoromethyl)phenyl]-
CAS Number:
116609-90-6
Molecular Formula:
C12H11F3OS2
Molecular Weight:
292.3403
IUPAC Name:
3,3-bis(methylsulfanyl)-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
InChI:
InChI=1S/C12H11F3OS2/c1-17-11(18-2)7-10(16)8-5-3-4-6-9(8)12(13,14)15/h3-7H,1-2H3
InChI Key:
DWTCREWNEPNODG-UHFFFAOYSA-N
SMILES:
CSC(=CC(=O)c1ccccc1C(F)(F)F)SC
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.02g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.334g/mol
Monoisotopic Mass:
292.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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