Home Other Building Blocks 1-[2-(tert-butylsulfanyl)-5-fluorophenyl]ethan-1-one

1-[2-(tert-butylsulfanyl)-5-fluorophenyl]ethan-1-one

CAS No.:
1019480-19-3
Catalog Number:
AG01BG3M
Molecular Formula:
C12H15FOS
Molecular Weight:
226.3103
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Product Description
Catalog Number:
AG01BG3M
Chemical Name:
1-[2-(tert-butylsulfanyl)-5-fluorophenyl]ethan-1-one
CAS Number:
1019480-19-3
Molecular Formula:
C12H15FOS
Molecular Weight:
226.3103
MDL Number:
MFCD11136968
IUPAC Name:
1-(2-tert-butylsulfanyl-5-fluorophenyl)ethanone
InChI:
InChI=1S/C12H15FOS/c1-8(14)10-7-9(13)5-6-11(10)15-12(2,3)4/h5-7H,1-4H3
InChI Key:
UKMZVVMRMCKPAM-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)C)SC(C)(C)C
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.083g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.309g/mol
Monoisotopic Mass:
226.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties