chempirical

4-Chloro-6-methyl-2-(methylthio)pyrimidine

C6H7ClN2SCAS 17119-73-2174.65 g/mol

Open in Covalent MOL file
NNSCl
Aryl halideSulfide

Properties

Molecular formula
C6H7ClN2S
Molar mass
174.65 g/mol
Exact mass
174.0018 Da
logP
2.16Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
17119-73-2
SMILES
CC1=CC(=NC(=N1)SC)Cl
InChIKey
ALMBOXQFPLQVLF-UHFFFAOYSA-N
InChI
InChI=1S/C6H7ClN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3

Weigh it out

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

Work with 4-Chloro-6-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-Dichloro-2-(methylthio)pyrimidine6299-25-873 % similar 4,6-Dimethyl-2-(methylthio)pyrimidine14001-64-069 % similar 2,4-Dichloro-6-methylpyrimidine5424-21-555 % similar 4-Chloro-2,6-dimethylpyrimidine4472-45-153 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-852 % similar 4-Methyl-2-(methylthio)pyrimidine14001-63-947 % similar 4,6-Dihydroxy-2-(methylthio)pyrimidine1979-98-242 % similar 2-Chloro-6-methyl-4-(trifluoromethyl)pyridine22123-14-442 % similar

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

Elsewhere

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