chempirical

1,3-Benzenedisulfonyl dichloride

C6H4Cl2O4S2CAS 585-47-7275.11 g/mol

Open in Covalent MOL file
OSOClSOOCl

Properties

Molecular formula
C6H4Cl2O4S2
Molar mass
275.11 g/mol
Exact mass
273.8928 Da
Melting point
63 °C
logP
1.54Crippen estimate
Polar surface area
68.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
585-47-7
SMILES
O=S(=O)(Cl)c1cccc(S(=O)(=O)Cl)c1
InChIKey
ALIQZUMMPOYCIS-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H

Weigh it out

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Names and synonyms

9 names
  • m-Benzenedisulfonyl chloride
  • 3-(Chlorosulfonyl)benzenesulfonyl chloride
  • m-Phenylenedisulfonyl chloride
  • m-Benzenedisulfonyl dichloride
  • 1,3-Bis(chlorosulfonyl)benzene
  • m-Bis(chlorosulfonyl)benzene
  • 1,3-Benzenedisulfonyl chloride
  • NSC 61429
  • 1,3-Phenylenebis(sulfonyl chloride)

Work with 1,3-Benzenedisulfonyl dichloride

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

3-Chlorobenzenesulfonyl chloride2888-06-475 % similar Benzenesulfonyl chloride98-09-968 % similar 3-Methoxybenzenesulfonyl chloride10130-74-262 % similar 3-(Trifluoromethyl)benzenesulfonyl chloride777-44-662 % similar 3,4-Dichlorobenzenesulfonyl chloride98-31-762 % similar 2-Naphthalenesulfonyl chloride93-11-859 % similar 3-Nitrobenzenesulfonyl chloride121-51-758 % similar 3-(Chlorosulfonyl)benzoic acid4025-64-358 % similar

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

Elsewhere

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