2-Chloro-4-methyl-6-(methylsulfanyl)pyrimidine

C₆H₇ClN₂SCAS 89466-59-1174.65 g/mol

Open in Covalent MOL file

Aryl halide Sulfide

Properties

Molecular formula: C₆H₇ClN₂S
Molar mass: 174.65 g/mol
Exact mass: 174.0018 Da
logP: 2.16Crippen 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

89466-59-1

SMILES

CC1=CC(=NC(=N1)Cl)SC

InChIKey

GLWCUQHONLZTOE-UHFFFAOYSA-N

InChI

InChI=1S/C6H7ClN2S/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3

Weigh it out

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Names and synonyms

1 names

2-Chloro-4-methyl-6-methylsulfanyl-pyrimidine

Work with 2-Chloro-4-methyl-6-(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

2-Chloro-4,6-dimethylpyrimidine4472-44-060 % similar 2,4-Dichloro-6-methylpyrimidine5424-21-552 % similar 4,6-Dimethyl-2-(methylthio)pyrimidine14001-64-048 % similar 2-Chloro-4-methylsulfanyl-pyrimidine49844-93-147 % similar 4-Chloro-2,6-dimethylpyridine3512-75-241 % similar 2-Chloro-4-methylpyrimidine13036-57-238 % similar 4,6-Dichloro-2-(methylthio)pyrimidine6299-25-838 % similar 2-Chloro-4,6-dimethylpyridine30838-93-836 % similar

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

Same formula

4-Chloro-6-methyl-2-(methylthio)pyrimidine17119-73-2

Elsewhere

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