4-(Methylthio)-4-methyl-2-pentanone

C₇H₁₄OSCAS 23550-40-5146.25 g/mol

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Properties

Molecular formula: C₇H₁₄OS
Molar mass: 146.25 g/mol
Exact mass: 146.0765 Da
Boiling point: 84 °C (at 12 Torr)
logP: 2.11Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

23550-40-5

SMILES

CSC(C)(C)CC(C)=O

InChIKey

DHANVOSHQILVNQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

2-Pentanone, 4-methyl-4-(methylthio)-
4-Methyl-4-(methylthio)-2-pentanone
4-Methylmercapto-4-methylpentan-2-one

Work with 4-(Methylthio)-4-methyl-2-pentanone

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

4-Mercapto-4-methyl-2-pentanone19872-52-750 % similar 4,4-Dimethyl-2-pentanone590-50-150 % similar 4-Amino-4-methyl-2-pentanone625-04-745 % similar 4-Methoxy-4-methyl-2-pentanone107-70-042 % similar 1-(Methylthio)-2-propanone14109-72-939 % similar 4-(Methylthio)-2-butanone34047-39-737 % similar Hexane-2,5-dione110-13-436 % similar N-(1,1-Dimethyl-3-oxobutyl)-2-propenamide2873-97-436 % similar

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

Same formula

3-(Methylthio)hexanal38433-74-8

Elsewhere

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