chempirical

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

C6H4ClF3N2SCAS 16097-63-5228.62 g/mol

Open in Covalent MOL file
SNNClFFF
Alkyl halideAryl halideSulfide

Properties

Molecular formula
C6H4ClF3N2S
Molar mass
228.62 g/mol
Exact mass
227.9736 Da
logP
2.87Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
16097-63-5
SMILES
CSC1=NC(=CC(=N1)Cl)C(F)(F)F
InChIKey
GOORQLLDZBAQIW-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClF3N2S/c1-13-5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3

Weigh it out

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

Work with 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)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-(methylthio)pyrimidine6299-25-866 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-847 % similar 2-Chloro-6-(trifluoromethyl)isonicotinonitrile1196155-38-046 % similar 2-Chloro-6-methyl-4-(trifluoromethyl)pyridine22123-14-442 % similar 2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol16097-62-441 % similar 3-Chloro-6-(trifluoromethyl)pyridazine258506-68-239 % similar 2-Chloro-5-(trifluoromethyl)pyrazine799557-87-239 % similar 4,6-Dimethyl-2-(methylthio)pyrimidine14001-64-038 % similar

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

Elsewhere

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