Home Other Building Blocks 1-(4-methanesulfinylphenyl)ethan-1-one

1-(4-methanesulfinylphenyl)ethan-1-one

CAS No.:
32361-73-2
Catalog Number:
AG019T7S
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
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Product Description
Catalog Number:
AG019T7S
Chemical Name:
1-(4-methanesulfinylphenyl)ethan-1-one
CAS Number:
32361-73-2
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD20731241
IUPAC Name:
1-(4-methylsulfinylphenyl)ethanone
InChI:
InChI=1S/C9H10O2S/c1-7(10)8-3-5-9(6-4-8)12(2)11/h3-6H,1-2H3
InChI Key:
NTUFNCGULZBNCK-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)S(=O)C
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties