4-Chloro-2-(methylsulfonyl)pyrimidine

C₅H₅ClN₂O₂SCAS 97229-11-3192.62 g/mol

Open in Covalent MOL file

Aryl halide Sulfone

Properties

Molecular formula: C₅H₅ClN₂O₂S
Molar mass: 192.62 g/mol
Exact mass: 191.9760 Da
Melting point: 88–89 °C
logP: 0.53Crippen 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

97229-11-3

SMILES

CS(=O)(=O)c1nccc(Cl)n1

InChIKey

BWVZLXTZQHILRC-UHFFFAOYSA-N

InChI

InChI=1S/C5H5ClN2O2S/c1-11(9,10)5-7-3-2-4(6)8-5/h2-3H,1H3

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Names and synonyms

1 names

Pyrimidine, 4-chloro-2-(methylsulfonyl)-

Work with 4-Chloro-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

4,6-Dichloro-2-(methylsulfonyl)pyrimidine4489-34-361 % similar 4-Chloro-2-methylpyrimidine4994-86-945 % similar 2,4-Dichloropyrimidine3934-20-145 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-844 % similar 2-Amino-4-chloropyrimidine3993-78-041 % similar 4,6-Dimethyl-2-methylsulfonylpyrimidine35144-22-040 % similar 5-Bromo-2-(methylsulphonyl)pyrimidine38275-48-839 % similar 4-Chloro-2-phenylpyrimidine14790-42-238 % similar

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

Same formula

4-Chloro-3-pyridinesulfonamide33263-43-3

Elsewhere

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