1-[4-(Methylthio)phenyl]ethanone

C₉H₁₀OSCAS 1778-09-2166.24 g/mol

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Properties

Molecular formula: C₉H₁₀OS
Molar mass: 166.24 g/mol
Exact mass: 166.0452 Da
Melting point: 79–80 °C
Boiling point: 170 °C (at 10 Torr)
logP: 2.61Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

1778-09-2

SMILES

CSc1ccc(C(C)=O)cc1

InChIKey

JECUZQLBQKNEMW-UHFFFAOYSA-N

InChI

InChI=1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3

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Names and synonyms

18 names · show all

Ethanone, 1-[4-(methylthio)phenyl]-
Acetophenone, 4′-(methylthio)-
p-(Methylmercapto)acetophenone
4′-(Methylmercapto)acetophenone
p-(Methylthio)acetophenone
4′-(Methylthio)acetophenone
p-Acetylphenyl methyl sulfide
4-Acetylthioanisole
Methyl p-acetylphenyl sulfide
p-Acetylthioanisole
Methyl 4-(methylthio)phenyl ketone
4-Acetylphenyl methyl sulfide
NSC 403927
1-(4-Methylsulfanylphenyl)ethanone
4-(Methylsulfenyl)acetophenone
1-Acetyl-4-(methylthio)benzene
1-[4-(Methylsulfanyl)phenyl]ethan-1-one
1-(4-(Methylthio)phenyl)ethan-1-one

Work with 1-[4-(Methylthio)phenyl]ethanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diacetylbenzene1009-61-665 % similar 1-[4-(Phenylthio)phenyl]ethanone10169-55-860 % similar 4-(Methylthio)benzoic acid13205-48-657 % similar P-Methylacetophenone122-00-954 % similar Acetophenone98-86-252 % similar 4-Iodoacetophenone13329-40-352 % similar 1,1′-(Oxydi-4,1-phenylene)bis[ethanone]2615-11-452 % similar 4′-Fluoroacetophenone403-42-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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