Davicil

C6H3Cl4NO2SCAS 13108-52-6294.96 g/mol

Open in Covalent MOL file
SOOClClNClCl
Aryl halideSulfone

Properties

Molecular formula
C6H3Cl4NO2S
Molar mass
294.96 g/mol
Exact mass
292.8639 Da
logP
3.10Crippen estimate
Polar surface area
47.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 613-032-00-0), via PubChem.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
13108-52-6
SMILES
CS(=O)(=O)c1c(Cl)c(Cl)nc(Cl)c1Cl
InChIKey
NMCCNOZOBBWFMN-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl4NO2S/c1-14(12,13)4-2(7)5(9)11-6(10)3(4)8/h1H3

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Names and synonyms

15 names · show all
  • Pyridine, 2,3,5,6-tetrachloro-4-(methylsulfonyl)-
  • 2,3,5,6-Tetrachloro-4-(methylsulfonyl)pyridine
  • Dowicil S 13
  • 4-(Methylsulfonyl)-2,3,5,6-tetrachloropyridine
  • SA 1013
  • Dowco 282
  • Densil S 100
  • TCMS pyridine
  • Densil S 25
  • Densil S
  • Algophase
  • Algophase PH025/d
  • 2,3,5,6-Tetrachloro-4-(methanesulfonyl)-pyridine
  • Tetrachloro-4-methylsulfonylpyridine
  • 2,3,5,6-Tetrachloro-4-(methylsulphonyl) pyridine

Work with Davicil

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

Pentachloropyridine2176-62-744 % similar 4,6-Dichloro-2-(methylsulfonyl)pyrimidine4489-34-339 % similar 2,3,5,6-Tetrachloropyridine-4-thiol10351-06-138 % similar 2,4,5,6-Tetrachloropyrimidine1780-40-136 % similar 4-Chloro-2-(methylsulfonyl)pyrimidine97229-11-335 % similar 1-Chloro-4-(methylsulfonyl)benzene98-57-733 % similar 4,6-Dimethyl-2-methylsulfonylpyrimidine35144-22-032 % similar 3-Chloro-4-(methylsulfonyl)thiophene-2-carboxylic acid175201-86-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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