Home Other Building Blocks 1-[2-(ethylsulfanyl)phenyl]propan-2-one

1-[2-(ethylsulfanyl)phenyl]propan-2-one

CAS No.:
2126161-27-9
Catalog Number:
AG01EJXO
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
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Product Description
Catalog Number:
AG01EJXO
Chemical Name:
1-[2-(ethylsulfanyl)phenyl]propan-2-one
CAS Number:
2126161-27-9
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
MDL Number:
MFCD31381200
IUPAC Name:
1-(2-ethylsulfanylphenyl)propan-2-one
InChI:
InChI=1S/C11H14OS/c1-3-13-11-7-5-4-6-10(11)8-9(2)12/h4-7H,3,8H2,1-2H3
InChI Key:
XEJQOTSCNOPKSV-UHFFFAOYSA-N
SMILES:
CCSc1ccccc1CC(=O)C
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.077g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.292g/mol
Monoisotopic Mass:
194.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties