chempirical

3-Chloro-4-fluorobenzenethiol

C6H4ClFSCAS 60811-23-6162.61 g/mol

Open in Covalent MOL file
FSHCl
Aryl halideThiol

Properties

Molecular formula
C6H4ClFS
Molar mass
162.61 g/mol
Exact mass
161.9706 Da
Boiling point
91–92 °C (at 20 Torr)
logP
2.77Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
60811-23-6
SMILES
Fc1ccc(S)cc1Cl
InChIKey
SFSHSIFYTWIGSF-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClFS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H

Weigh it out

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

Names and synonyms

3 names
  • Benzenethiol, 3-chloro-4-fluoro-
  • 3-Chloro-4-fluorothiophenol
  • 3-Chloro-4-fluorobenzene-1-thiol

Work with 3-Chloro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dichlorobenzenethiol5858-17-360 % similar 2,4-Dichlorofluorobenzene1435-48-956 % similar 2-Chloro-1-fluoro-4-methylbenzene1513-25-354 % similar 2-Chloro-1-fluoro-4-iodobenzene156150-67-352 % similar 3-Chloro-4-fluorophenol2613-23-252 % similar 3-Chloro-4-fluoroaniline367-21-552 % similar 4-Bromo-2-chloro-1-fluorobenzene60811-21-452 % similar 1-Chloro-2-fluorobenzene348-51-650 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook