chempirical

4-Fluorobenzenemethanethiol

C7H7FSCAS 15894-04-9142.19 g/mol

Open in Covalent MOL file
FSH
Aryl halideThiol

Properties

Molecular formula
C7H7FS
Molar mass
142.19 g/mol
Exact mass
142.0252 Da
logP
2.26Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
15894-04-9
SMILES
Fc1ccc(CS)cc1
InChIKey
RKTRHMNWVZRZJQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

Weigh it out

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

Names and synonyms

7 names
  • Benzenemethanethiol, 4-fluoro-
  • α-Toluenethiol, p-fluoro-
  • p-Fluorobenzyl mercaptan
  • 4-Fluorobenzyl mercaptan
  • p-Fluorobenzenemethanethiol
  • 4-Fluorobenzylthiol
  • (4-Fluorophenyl)methanethiol

Work with 4-Fluorobenzenemethanethiol

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-Benzenedimethanethiol105-09-967 % similar 1,1′-Methylenebis[4-fluorobenzene]457-68-157 % similar 4-Fluorobenzyl chloride352-11-452 % similar Benzyl mercaptan100-53-850 % similar 4-Fluorobenzylamine140-75-050 % similar 4-Methylbenzyl mercaptan4498-99-150 % similar 4-Fluorobenzyl bromide459-46-150 % similar 1-Ethyl-4-fluorobenzene459-47-250 % similar

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

Same formula

4-Fluorophenyl methyl sulfide371-15-3 1-Fluoro-3-(methylthio)benzene658-28-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook