chempirical

4-Chlorophenyl disulfide

C12H8Cl2S2CAS 1142-19-4287.22 g/mol

Open in Covalent MOL file
ClSSCl
Aryl halideDisulfide

Properties

Molecular formula
C12H8Cl2S2
Molar mass
287.22 g/mol
Exact mass
285.9444 Da
Density
1.304 g/mL (at 102.3 °C)
Melting point
68 °C
Boiling point
141 °C (at 0.4 Torr)
logP
5.79Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
1142-19-4
SMILES
Clc1ccc(SSc2ccc(Cl)cc2)cc1
InChIKey
ZIXXRXGPBFMPFD-UHFFFAOYSA-N
InChI
InChI=1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H

Weigh it out

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

Names and synonyms

18 names · show all
  • Disulfide, bis(4-chlorophenyl)
  • Disulfide, bis(p-chlorophenyl)
  • Bis(4-chlorophenyl) disulfide
  • Bis(p-chlorophenyl) disulfide
  • DDDS
  • 4,4′-Dichlorodiphenyl disulfide
  • p-Chlorophenyl disulfide
  • Di(p-chlorophenyl) disulfide
  • p,p′-Dichlorodiphenyl disulfide
  • DDDS (pesticide)
  • NSC 32025
  • MCS
  • MCS (sulfide)
  • NSC 677444
  • Bis-(4-chlorobenzene)-disulfide
  • Di(4-chlorophenyl) disulfide
  • 1,2-Bis(4-chlorophenyl)disulfane
  • 1-Chloro-4-[(4-chlorophenyl)disulfanyl]benzene

Work with 4-Chlorophenyl disulfide

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

1,4-Dichlorobenzene106-46-760 % similar 1-Chloro-4-(methylthio)benzene123-09-157 % similar Chlorbenside103-17-350 % similar 4-Chlorotoluene106-43-450 % similar 4,4′-Dichlorobiphenyl2050-68-250 % similar 1-Chloro-4-[(trifluoromethyl)thio]benzene407-16-950 % similar P-Tolyl disulfide103-19-545 % similar 1,1′-Sulfinylbis[4-chlorobenzene]3085-42-543 % similar

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

Elsewhere

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