Ethyl 1-(4-methylphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
Basic information
- CAS
82636-17-7- Standard SMILES
CCOC(=O)c1cnc(SC)n(-c2ccc(C)cc2)c1=O- InChIKey
RYJICFOMUQVFAE-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.08816355
Names & identifiers
- Preferred name
- Ethyl 1-(4-methylphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
- IUPAC
- ethyl 1-(4-methylphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
Names & synonyms
NSC32117982636-17-7DTXSID90317856NSC-321179Ethyl 1-(4-methylphenyl)-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate
Database identifiers
- CAS
82636-17-7- PubChem CID
- 331083
- DTXSID
DTXSID90317856
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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