4,6-Dichloro-2-(methylsulfonyl)pyrimidine

C₅H₄Cl₂N₂O₂SCAS 4489-34-3227.06 g/mol

Open in Covalent MOL file

Aryl halide Sulfone

Properties

Molecular formula: C₅H₄Cl₂N₂O₂S
Molar mass: 227.06 g/mol
Exact mass: 225.9371 Da
logP: 1.19Crippen estimate
Polar surface area: 59.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

4489-34-3

SMILES

CS(=O)(=O)C1=NC(=CC(=N1)Cl)Cl

InChIKey

DROUVIKCNOHKBA-UHFFFAOYSA-N

InChI

InChI=1S/C5H4Cl2N2O2S/c1-12(10,11)5-8-3(6)2-4(7)9-5/h2H,1H3

Weigh it out

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

Work with 4,6-Dichloro-2-(methylsulfonyl)pyrimidine

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

4-Chloro-2-(methylsulfonyl)pyrimidine97229-11-361 % similar 4,6-Dimethyl-2-methylsulfonylpyrimidine35144-22-055 % similar 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine113583-35-050 % similar 4,6-Dichloro-2-methylpyrimidine1780-26-343 % similar 2,4,6-Trichloropyrimidine3764-01-042 % similar Davicil13108-52-639 % similar 5-Bromo-2-(methylsulphonyl)pyrimidine38275-48-839 % similar 2-Methoxy-4,6-dichloropyrimidine1074-40-439 % similar

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

Elsewhere

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