4,6-Dichloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde

C₆H₄Cl₂N₂OSCAS 33097-11-9223.07 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Sulfide

Properties

Molecular formula: C₆H₄Cl₂N₂OS
Molar mass: 223.07 g/mol
Exact mass: 221.9421 Da
logP: 2.32Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

33097-11-9

SMILES

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

InChIKey

MRHGOAKYYORQGQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2N2OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3

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Names and synonyms

1 names

4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

Work with 4,6-Dichloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde

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-carboxaldehyde148256-82-061 % similar 4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde14160-91-959 % similar 2,4,6-Trichloro-5-pyrimidinecarboxaldehyde50270-27-457 % similar 2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde5604-46-653 % similar 4,6-Dichloro-5-pyrimidinecarbaldehyde5305-40-847 % similar 4,5-Dichloro-2-(methylsul...99469-85-944 % similar 2-(Methylthio)-4-pyrimidinecarboxaldehyde1074-68-643 % similar 2-(Methylthio)-5-pyrimidinecarbaldehyde90905-31-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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