5-Bromo-4-chloro-2-methylsulfanyl-pyrimidine

C₅H₄BrClN₂SCAS 63810-78-6239.51 g/mol

Open in Covalent MOL file

Aryl halide Sulfide

Properties

Molecular formula: C₅H₄BrClN₂S
Molar mass: 239.51 g/mol
Exact mass: 237.8967 Da
logP: 2.61Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 3
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

63810-78-6

SMILES

CSC1=NC=C(C(=N1)Cl)Br

InChIKey

XVRYJQACDDVZEI-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BrClN2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3

Weigh it out

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Names and synonyms

1 names

5-Bromo-4-chloro-2-(methylsulfanyl)pyrimidine

Work with 5-Bromo-4-chloro-2-methylsulfanyl-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-(methylthio)pyrimidine-5-carboxaldehyde148256-82-056 % similar 5-Bromo-2,4-dichloropyrimidine36082-50-555 % similar 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid50593-92-554 % similar 5-Bromo-4-chloropyrimidin-2-amine1044767-99-850 % similar 5-Bromo-2-(methylsulfanyl)pyrimidine14001-67-347 % similar Ethyl 4-chloro-2-(methylthio)-5-pyrimidinecarboxylate5909-24-044 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-844 % similar 4,6-Dichloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde33097-11-942 % similar

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

Elsewhere

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