chempirical

4,6-Dichloro-2-(methylthio)pyrimidine

C5H4Cl2N2SCAS 6299-25-8195.06 g/mol

Open in Covalent MOL file
SNClClN
Aryl halideSulfide

Properties

Molecular formula
C5H4Cl2N2S
Molar mass
195.06 g/mol
Exact mass
193.9472 Da
Melting point
39–40 °C
logP
2.51Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
6299-25-8
SMILES
CSc1nc(Cl)cc(Cl)n1
InChIKey
FCMLONIWOAGZJX-UHFFFAOYSA-N
InChI
InChI=1S/C5H4Cl2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Pyrimidine, 4,6-dichloro-2-(methylthio)-
  • 4,6-Dichloro-2-(methylmercapto)pyrimidine
  • 2-Methylthio-4,6-dichloropyrimidine
  • 4,6-Dichloro-2-(methylsulfanyl)pyrimidine
  • NSC 44560

Work with 4,6-Dichloro-2-(methylthio)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-Chloro-2-(methylthio)pyrimidine49844-90-862 % similar 4,6-Dimethyl-2-(methylthio)pyrimidine14001-64-050 % similar 4,6-Dihydroxy-2-(methylthio)pyrimidine1979-98-250 % similar 4,6-Dichloro-2-methylpyrimidine1780-26-348 % similar 2,4,6-Trichloropyrimidine3764-01-048 % similar 6-Chloro-2-(methylthio)pyrimidin-4-amine1005-38-547 % similar 2-Methoxy-4,6-dichloropyrimidine1074-40-443 % similar 2,4,6-Trichloropyridine16063-69-740 % similar

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

Elsewhere

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