Basic information
- CAS
15400-46-1- Standard SMILES
CCOC(=O)c1cnc(SC)nc1Oc1ccccc1- InChIKey
JXSLAQFMYYLPDL-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3S
- Average molar mass
- 290.34 g/mol
- Monoisotopic mass
- 290.07251349
Names & identifiers
- Preferred name
- Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate
- IUPAC
- ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate
Names & synonyms
15400-46-1ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylateNSC165301SCHEMBL11009450SCHEMBL31467164DTXSID10304288MFCD01569267AKOS025212574NSC-165301DS-015541Ethyl 2-(methylthio)-4-phenoxypyrimidine-5-carboxylateethyl 2-(methylsulfanyl)-4-phenoxypyrimidine-5-carboxylate
Show more names
ethyl 2-methylsulfanyl-4-phenoxy-pyrimidine-5-carboxylate5-PYRIMIDINECARBOXYLICACID, 2-(METHYLTHIO)-4-PHENOXY-, ETHYL ESTER
Database identifiers
- CAS
15400-46-1- PubChem CID
- 295698
- DTXSID
DTXSID10304288
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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