Ethyl 1-(2-chloro-6-methylphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
Basic information
- CAS
82636-23-5- Standard SMILES
CCOC(=O)c1cnc(SC)n(-c2c(C)cccc2Cl)c1=O- InChIKey
CTXUVTYXIQHSJP-UHFFFAOYSA-N- Molecular formula
- C15H15ClN2O3S
- Average molar mass
- 338.8 g/mol
- Monoisotopic mass
- 338.0491912
Names & identifiers
- Preferred name
- Ethyl 1-(2-chloro-6-methylphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
- IUPAC
- ethyl 1-(2-chloro-6-methylphenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
Names & synonyms
NSC32117582636-23-5DTXSID50317852NSC-321175Ethyl 1-(2-chloro-6-methylphenyl)-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate
Database identifiers
- CAS
82636-23-5- PubChem CID
- 331079
- DTXSID
DTXSID50317852
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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