chempirical

4-Chloro-2-(methylthio)pyrimidine

C5H5ClN2SCAS 49844-90-8160.62 g/mol

Open in Covalent MOL file
SNClN
Aryl halideSulfide

Properties

Molecular formula
C5H5ClN2S
Molar mass
160.62 g/mol
Exact mass
159.9862 Da
Boiling point
122 °C (at 18 Torr)
logP
1.85Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
49844-90-8
SMILES
CSc1nccc(Cl)n1
InChIKey
DFOHHQRGDOQMKG-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Pyrimidine, 4-chloro-2-(methylthio)-
  • 4-Chloro-2-(methylsulfanyl)pyrimidine
  • 2-(Methylthio)-4-chloropyrimidine
  • 4-Chloro-2-(methylmercapto)pyrimidine
  • NSC 100866
  • 6-Chloro-2-methylthiopyrimidine

Work with 4-Chloro-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

4,6-Dichloro-2-(methylthio)pyrimidine6299-25-862 % similar 4-Methyl-2-(methylthio)pyrimidine14001-63-957 % similar 2-(Methylthio)-4(3H)-pyrimidinone5751-20-255 % similar 2,4-Dichloropyrimidine3934-20-154 % similar 2-(Methylthio)-4-pyrimidinecarboxaldehyde1074-68-650 % similar 4-Chloro-2-(methylsulfonyl)pyrimidine97229-11-344 % similar 2,6-Dichloropyridine2402-78-040 % similar 2-Chloro-4-methylpyridine3678-62-439 % similar

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

Elsewhere

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