Home Other Building Blocks 2-(methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]ethan-1-one

2-(methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]ethan-1-one

CAS No.:
136067-94-2
Catalog Number:
AG01A5YG
Molecular Formula:
C10H9F3OS
Molecular Weight:
234.2381
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Product Description
Catalog Number:
AG01A5YG
Chemical Name:
2-(methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]ethan-1-one
CAS Number:
136067-94-2
Molecular Formula:
C10H9F3OS
Molecular Weight:
234.2381
MDL Number:
MFCD16617821
IUPAC Name:
2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C10H9F3OS/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3
InChI Key:
JZJVYPCVACCIFG-UHFFFAOYSA-N
SMILES:
CSCC(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.033g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.236g/mol
Monoisotopic Mass:
234.033g/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