2-Chlorobenzenethiol

C6H5ClSCAS 6320-03-2144.62 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
Boiling point
205.5 °C
logP
2.63Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)

Aggregated from 102 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
6320-03-2
SMILES
Sc1ccccc1Cl
InChIKey
PWOBDMNCYMQTCE-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClS/c7-5-3-1-2-4-6(5)8/h1-4,8H

Weigh it out

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

Names and synonyms

9 names
  • Benzenethiol, 2-chloro-
  • Benzenethiol, o-chloro-
  • o-Chlorobenzenethiol
  • 2-Chlorothiophenol
  • o-Chlorothiophenol
  • o-Chloromercaptobenzene
  • (2-Chlorophenyl)thiol
  • NSC 32019
  • 2-Chlorobenzene-1-thiol

Work with 2-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

2,3-Dichlorobenzenethiol17231-95-764 % similar Benzene-1,2-dithiol17534-15-556 % similar 1,2-Dichlorobenzene95-50-156 % similar 2,4-Dichlorobenzenethiol1122-41-454 % similar 2,5-Dichlorobenzenethiol5858-18-454 % similar 4-Chloro-1,3-benzenedithiol58593-78-554 % similar 2,6-Dichlorobenzenethiol24966-39-052 % similar 2-Chloro-4-fluorothiophenol175277-99-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chlorobenzenethiol106-54-7 3-Chlorothiophenol2037-31-2 Benzenesulfenyl chloride931-59-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook