Ethyl 4-chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate

C₉H₁₁ClN₂O₂SCAS 583878-42-6246.71 g/mol

Open in Covalent MOL file

Aryl halide Ester Sulfide

Properties

Molecular formula: C₉H₁₁ClN₂O₂S
Molar mass: 246.71 g/mol
Exact mass: 246.0230 Da
logP: 2.34Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

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

583878-42-6

SMILES

CCOC(=O)C1=C(N=C(N=C1Cl)SC)C

InChIKey

IVZWCVGIENDCRO-UHFFFAOYSA-N

InChI

InChI=1S/C9H11ClN2O2S/c1-4-14-8(13)6-5(2)11-9(15-3)12-7(6)10/h4H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

Ethyl 4-chloro-6-methyl-2-(methylsulfanyl)pyrimidine-5-carboxylate

Work with Ethyl 4-chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate

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

Ethyl 4-chloro-2-(methylthio)-5-pyrimidinecarboxylate5909-24-062 % similar Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate7234-25-556 % similar 4,6-Dichloro-2-methyl-nicotinic acid ethyl ester686279-09-451 % similar Ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate86129-63-751 % similar Ethyl 2-(methylthio)pyrimidine-5-carboxylate73781-88-147 % similar Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate2134-36-346 % similar Ethyl 2,4-dimethylnicotinate37669-78-645 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-845 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook