1,1'-Sulfinylbis(4-chlorobenzene)

C12H8Cl2OSCAS 3085-42-5271.16 g/mol

Open in Covalent MOL file
OSClCl
Aryl halideSulfoxide

Properties

Molecular formula
C12H8Cl2OS
Molar mass
271.16 g/mol
Exact mass
269.9673 Da
Melting point
143 °C
logP
4.16Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

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

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, P501

Identifiers

CAS number
3085-42-5
SMILES
O=S(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIKey
KJGYFISADIZFEL-UHFFFAOYSA-N
InChI
InChI=1S/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H

Weigh it out

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Names and synonyms

12 names
  • 1,1′-Sulfinylbis[4-chlorobenzene]
  • Benzene, 1,1′-sulfinylbis[4-chloro-
  • Sulfoxide, bis(p-chlorophenyl)
  • 4,4′-Dichlorodiphenyl sulfoxide
  • Bis(p-chlorophenyl) sulfoxide
  • p-Chlorophenyl sulfoxide
  • p,p′-Dichlorodiphenyl sulfoxide
  • Di-p-chlorophenyl sulfoxide
  • Bis(4-chlorophenyl) sulfoxide
  • 4-Chlorophenyl sulfoxide
  • NSC 406205
  • 1-Chloro-4-(4-chlorophenyl)sulfinylbenzene

Work with 1,1'-Sulfinylbis(4-chlorobenzene)

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

Bis(4-iodophenyl) sulfoxide647829-43-452 % similar 1,4-Dichlorobenzene106-46-750 % similar Sodium p-chlorobenzenesulfinate14752-66-050 % similar 1,1′-Sulfinylbis[4-methylbenzene]1774-35-250 % similar Diphenyl sulfoxide945-51-750 % similar Bis(p-chlorophenyl)disulfide1142-19-443 % similar 1-Chloro-4-iodobenzene637-87-643 % similar 4,4′-Dichlorobiphenyl2050-68-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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