chempirical

4-Chlorobenzenethiol

C6H5ClSCAS 106-54-7144.62 g/mol

Open in Covalent MOL file
HSCl
Aryl halideThiol

Properties

Molecular formula
C6H5ClS
Molar mass
144.62 g/mol
Exact mass
143.9800 Da
Melting point
61 °C
Boiling point
206 °C
logP
2.63Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
106-54-7
SMILES
Sc1ccc(Cl)cc1
InChIKey
VZXOZSQDJJNBRC-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClS/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

14 names · show all
  • Benzenethiol, 4-chloro-
  • Benzenethiol, p-chloro-
  • p-Chlorobenzenethiol
  • p-Chlorothiophenol
  • 4-Chlorothiophenol
  • 4-Chlorophenylmercaptan
  • p-Chlorophenylmercaptan
  • p-Mercaptochlorobenzene
  • 1-Chloro-4-mercaptobenzene
  • 4-Chlorophenylthiol
  • p-Chlorophenylthiol
  • NSC 18714
  • NSC 229564
  • 4-Mercaptophenyl chloride

Work with 4-Chlorobenzenethiol

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-Dichlorobenzene106-46-760 % similar 1,4-Benzenedithiol624-39-560 % similar 3,5-Dichlorobenzenethiol17231-94-650 % similar 4,4′-Dichlorobiphenyl2050-68-250 % similar 4-Chloropyridine626-61-945 % similar 3,4-Dichlorobenzenethiol5858-17-343 % similar 4-Chlorobenzyl mercaptan6258-66-843 % similar 1-Bromo-4-chlorobenzene106-39-843 % similar

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

Same formula

3-Chlorothiophenol2037-31-2 2-Chlorobenzenethiol6320-03-2 Benzenesulfenyl chloride931-59-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook