4,5-Dichloro-2-(methylsul...

C₅H₄Cl₂N₂SCAS 99469-85-9195.06 g/mol

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Aryl halide Sulfide

Properties

Molecular formula: C₅H₄Cl₂N₂S
Molar mass: 195.06 g/mol
Exact mass: 193.9472 Da
logP: 2.51Crippen 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

99469-85-9

SMILES

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

InChIKey

JATIYCWFOYRIEM-UHFFFAOYSA-N

InChI

InChI=1S/C5H4Cl2N2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3

Weigh it out

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Names and synonyms

1 names

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

Work with 4,5-Dichloro-2-(methylsul...

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

5-Bromo-4-chloro-2-methylsulfanyl-pyrimidine63810-78-663 % similar 4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde148256-82-059 % similar 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid61727-33-153 % similar 2,4,5-Trichloropyrimidine5750-76-552 % similar 4,5-Dichloropyrimidin-2-amine403854-21-747 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-847 % similar 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester5909-24-047 % similar 4,6-Dichloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde33097-11-944 % similar

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

Same formula

4,6-Dichloro-2-(methylthio)pyrimidine6299-25-8

Elsewhere

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