Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate
Basic information
- CAS
84923-27-3- Standard SMILES
CCOC(=O)c1cnc(SC)nc1OCC- InChIKey
IHMAYUOBJHWPJT-UHFFFAOYSA-N- Molecular formula
- C10H14N2O3S
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.07251349
Names & identifiers
- Preferred name
- Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylate
- IUPAC
- ethyl 4-ethoxy-2-methylsulfanylpyrimidine-5-carboxylate
- English name
- Ethyl 4-ethoxy-2-(methylthio)-pyrimidine-5-carboxylate
- Molecular formula
- C10H14N2O3S
- Molecular weight
- 242.29
Names & synonyms
84923-27-3Ethyl 4-ethoxy-2-(methylthio)pyrimidine-5-carboxylateethyl 4-ethoxy-2-methylsulfanylpyrimidine-5-carboxylateEthyl 4-ethoxy-2-(methylthio)-pyrimidine-5-carboxylateMFCD16660585NSC165312SCHEMBL3278294SCHEMBL31148410DTXSID60304293AKOS027393673NSC-165312SB59548
Show more names
5-Pyrimidinecarboxylic acid, 4-ethoxy-2-(methylthio)-, ethyl ester
Ethyl4-ethoxy-2-(methylthio)pyrimidine-5-carboxylateethyl 4-ethoxy-2-methylsulfanyl-pyrimidine-5-carboxylateEthyl 4-ethoxy-2-(methylsulfanyl)pyrimidine-5-carboxylate
Database identifiers
- CAS
84923-27-3- PubChem CID
- 295709
- DTXSID
DTXSID60304293
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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