chempirical

3-Chlorothiophenol

C6H5ClSCAS 2037-31-2144.62 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
298.7–304.3 °C (decomposes)
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
2037-31-2
SMILES
Sc1cccc(Cl)c1
InChIKey
CQJDYPZUDYXHLM-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClS/c7-5-2-1-3-6(8)4-5/h1-4,8H

Weigh it out

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

Names and synonyms

7 names
  • Benzenethiol, 3-chloro-
  • Benzenethiol, m-chloro-
  • 3-Chlorobenzenethiol
  • m-Chlorobenzenethiol
  • m-Chlorothiophenol
  • NSC 32020
  • 3-Chlorobenzene-1-thiol

Work with 3-Chlorothiophenol

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

1,3-Benzenedithiol626-04-063 % similar 1,3-Dichlorobenzene541-73-158 % similar 3,5-Dichlorobenzenethiol17231-94-657 % similar 3-Fluorothiophenol2557-77-950 % similar 3-Methylbenzenethiol108-40-748 % similar 3-Aminothiophenol22948-02-348 % similar 3-Bromothiophenol6320-01-048 % similar 1-Chloro-3-fluorobenzene625-98-946 % similar

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

Same formula

4-Chlorobenzenethiol106-54-7 2-Chlorobenzenethiol6320-03-2 Benzenesulfenyl chloride931-59-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook