chempirical

4-Fluorobenzenethiol

C6H5FSCAS 371-42-6128.16 g/mol

Open in Covalent MOL file
FSH
Aryl halideThiol

Properties

Molecular formula
C6H5FS
Molar mass
128.16 g/mol
Exact mass
128.0096 Da
Melting point
49–51 °C
Boiling point
162 °C
logP
2.11Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
371-42-6
SMILES
Fc1ccc(S)cc1
InChIKey
OKIHXNKYYGUVTE-UHFFFAOYSA-N
InChI
InChI=1S/C6H5FS/c7-5-1-3-6(8)4-2-5/h1-4,8H

Weigh it out

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

Names and synonyms

8 names
  • 4-Fluorophenyl mercaptan
  • (4-Fluorophenyl)thiol
  • NSC 77081
  • Benzenethiol, 4-fluoro-
  • Benzenethiol, p-fluoro-
  • p-Fluorobenzenethiol
  • p-Fluorothiophenol
  • 4-Fluorothiophenol

Work with 4-Fluorobenzenethiol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Difluorobenzene540-36-360 % similar 1,4-Benzenedithiol624-39-560 % similar 4-Fluorobenzenemethanethiol15894-04-943 % similar 4-Methylbenzenethiol106-45-643 % similar 4-Bromothiophenol106-53-643 % similar 4-Chlorobenzenethiol106-54-743 % similar 4-Aminothiophenol1193-02-843 % similar 1,1′-Oxybis[4-fluorobenzene]330-93-843 % similar

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

Same formula

3-Fluorothiophenol2557-77-9 2-Fluorothiophenol2557-78-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook