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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 2,4-Dichloro-6-(trifluoromethyl)pyrimidine16097-64-659 % similar 4-Chloro-6-methyl-2-(methylthio)pyrimidine17119-73-256 % similar 4-Chloro-2-(pyridin-4-yl)-6-(trifluoromethyl)pyrimidine204394-70-751 % similar 2-Chloro-4-iodo-6-(trifluoromethyl)pyridine205444-22-050 % similar 2-Chloro-6-(trifluoromethyl)pyridin-4-amine34486-22-150 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-847 % similar 2-Chloro-6-(trifluoromethyl)isonicotinonitrile1196155-38-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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