chempirical

Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate

C9H12N2O2SCAS 7234-25-5212.27 g/mol

Open in Covalent MOL file
OONNS
EsterSulfide

Properties

Molecular formula
C9H12N2O2S
Molar mass
212.27 g/mol
Exact mass
212.0619 Da
logP
1.68Crippen estimate
Polar surface area
52.1 Ų
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
7234-25-5
SMILES
CCOC(=O)C1=CN=C(N=C1C)SC
InChIKey
LJDJKDAPYUXBPE-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2O2S/c1-4-13-8(12)7-5-10-9(14-3)11-6(7)2/h5H,4H2,1-3H3

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Names and synonyms

1 names
  • 4-Methyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

Work with Ethyl-2-methylthio-4-methyl-5-pyrimidine 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-pyrimidinecarboxylate5909-24-074 % similar Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate53554-29-370 % similar Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate188781-08-065 % similar Ethyl 2-(methylthio)pyrimidine-5-carboxylate73781-88-162 % similar Ethyl 4-chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate583878-42-656 % similar Ethyl 2-methyl-3-pyridinecarboxylate1721-26-253 % similar Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate2134-36-353 % similar 4-Amino-2-methanethiopyrimidine-5-carboxylic acid ethyl ester776-53-453 % similar

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

Same formula

1-(2,4-Dimethoxyphenyl)-2-thiourea35696-77-6 (2,5-Dimethoxyphenyl)thiourea67617-98-5

Elsewhere

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