chempirical

1-Fluoro-3-(methylthio)benzene

C7H7FSCAS 658-28-6142.19 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
70–71 °C (at 13 Torr)
logP
2.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
658-28-6
SMILES
CSc1cccc(F)c1
InChIKey
SQXSNYMCORGWCE-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1-fluoro-3-(methylthio)-
  • Sulfide, m-fluorophenyl methyl
  • m-Fluorophenyl methyl sulfide
  • 3-Fluorophenyl methyl sulfide
  • 3-Fluorothioanisole
  • 1-Fluoro-3-(methylsulfanyl)benzene
  • 1-Fluoro-3-methylsulfanylbenzene

Work with 1-Fluoro-3-(methylthio)benzene

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

Same formula

4-Fluorobenzenemethanethiol15894-04-9 4-Fluorophenyl methyl sulfide371-15-3

Elsewhere

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