chempirical

4-Fluorophenyl methyl sulfide

C7H7FSCAS 371-15-3142.19 g/mol

Open in Covalent MOL file
SF
Aryl halideSulfide

Properties

Molecular formula
C7H7FS
Molar mass
142.19 g/mol
Exact mass
142.0252 Da
Boiling point
74 °C (at 10 Torr)
logP
2.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
371-15-3
SMILES
CSc1ccc(F)cc1
InChIKey
XFUMHENRNCUHOH-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzene, 1-fluoro-4-(methylthio)-
  • Sulfide, p-fluorophenyl methyl
  • 1-Fluoro-4-(methylthio)benzene
  • p-Fluorothioanisole
  • Methyl 4-fluorophenyl sulfide
  • p-Fluorophenyl methyl sulfide
  • 4-Fluorothioanisole
  • Methyl p-fluorophenyl sulfide
  • 4-Fluoro-1-methylsulfanylbenzene
  • 4-Fluorophenyl methyl sulphide
  • 1-Fluoro-4-(methylsulfanyl)benzene
  • 1-(Methylthio)-4-fluorobenzene
  • 1-Fluoro-4-methylsulfanylbenzene

Work with 4-Fluorophenyl methyl sulfide

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

Methyl P-tolyl sulfide623-13-252 % similar Thioanisole100-68-550 % similar 4-Bromothioanisole104-95-050 % similar 4-(Methylthio)aniline104-96-150 % similar 4-(Methylthio)phenol1073-72-950 % similar 4-(Methylthio)benzenethiol1122-97-050 % similar 1-Chloro-4-(methylthio)benzene123-09-150 % similar 1,4-Difluorobenzene540-36-350 % similar

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

Same formula

4-Fluorobenzenemethanethiol15894-04-9 1-Fluoro-3-(methylthio)benzene658-28-6

Elsewhere

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