4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde

C₆H₅ClN₂OSCAS 148256-82-0188.63 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Sulfide

Properties

Molecular formula: C₆H₅ClN₂OS
Molar mass: 188.63 g/mol
Exact mass: 187.9811 Da
logP: 1.66Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

148256-82-0

SMILES

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

InChIKey

VMNYMIKGYQYJHK-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN2OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2-3H,1H3

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Names and synonyms

1 names

4-Chloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

Work with 4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde

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-(Methylthio)-4-pyrimidinecarboxaldehyde1074-68-649 % similar Ethyl 4-chloro-2-(methylthio)-5-pyrimidinecarboxylate5909-24-046 % similar 2,6-Dichloro-3-pyridinecarboxaldehyde55304-73-943 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-842 % similar 4-Chloropyridine-3-carboxaldehyde114077-82-639 % similar 3-Chloro-pyrazine-2-carbaldehyde121246-96-639 % similar 4,6-Dichloropyridine-3-carbaldehyde1060811-62-238 % similar 2-Chloro-6-methoxyquinoline-3-carboxaldehyde73568-29-338 % similar

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

Elsewhere

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