4-Methyl-2-(methylthio)pyrimidine

C₆H₈N₂SCAS 14001-63-9140.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈N₂S
Molar mass: 140.20 g/mol
Exact mass: 140.0408 Da
Boiling point: 78–80 °C (at 1 Torr)
logP: 1.51Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

14001-63-9

SMILES

CSc1nccc(C)n1

InChIKey

UCERVHYBSTYCQS-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2S/c1-5-3-4-7-6(8-5)9-2/h3-4H,1-2H3

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Names and synonyms

3 names

Pyrimidine, 4-methyl-2-(methylthio)-
2-Methylthio-4-methylpyrimidine
4-Methyl-2-methylsulfanylpyrimidine

Work with 4-Methyl-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-Dimethyl-2-(methylthio)pyrimidine14001-64-058 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-857 % similar 2-(Methylthio)-4(3H)-pyrimidinone5751-20-255 % similar 2-(Methylthio)-4-pyrimidinecarboxaldehyde1074-68-650 % similar 2-Chloro-4-methylpyrimidine13036-57-250 % similar 2-Bromo-4-methylpyrimidine130645-48-648 % similar 2-[(4-Methyl-2-pyrimidinyl)thio]acetic acid46118-95-046 % similar 4-Methyl-2-pyrimidinol monohydrochloride5348-51-644 % similar

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

Same formula

3,3′-Thiodipropionitrile111-97-7 4,6-Dimethyl-2-mercaptopyrimidine22325-27-5 2-Methyl-3-(methylthio)pyrazine2882-20-4 Pyrazineethanethiol35250-53-4

Elsewhere

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