CC(=O)C1=CC=C(C=C1)SC
CAS: 1778-09-2
Name: 1-(4-methylsulfanylphenyl)ethanone
SMILES: CC(=O)C1=CC=C(C=C1)SC

Molecular Processing

Molecular formula
C9H10OS
Molecular weight
166.24
Exact mass
166.0452
XLogP
2.61
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
48.23

Supplementary Information

InChIKey: JECUZQLBQKNEMW-UHFFFAOYSA-N
Synonyms
1-(4-(Methylthio)phenyl)ethan-1-oneEthanone, 1-[4-(methylthio)phenyl]-1-[4-(Methylthio)phenyl]ethan-1-oneEINECS 217-213-1Ethanone, 1-(4-(methylthio)phenyl)-NSC 403927RefChem:424467217-213-11778-09-24'-(Methylthio)acetophenone1-(4-(Methylthio)phenyl)ethanone1-(4-methylsulfanylphenyl)ethanone4-(Methylthio)acetophenone1-[4-(methylsulfanyl)phenyl]ethan-1-one1-[4-(Methylsulfanyl)phenyl]ethanone4'-(Methylmercapto)acetophenone1-[4-(methylthio)phenyl]ethanonep-(methylthio)acetophenoneMFCD000398351-Acetyl-4-(methylthio)benzene4-Acetylphenyl methyl sulfide4-(Methylsulfenyl)acetophenone4-(Acetyl)thioanisoleNSC-4039271-acetyl-4-methylthiobenzene4-acetylthioanisoleNSC4039274-methylthioacetophenoneFN9JM37X2Pp-Acetylphenyl methyl sulfide
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Involved in 33 reactions→

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