Ethyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Basic information
- CAS
6301-32-2- Standard SMILES
CCOC(=O)c1cc(Cl)nc(SC)n1- InChIKey
QXACMWWXHUOJFI-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2O2S
- Average molar mass
- 232.69 g/mol
- Monoisotopic mass
- 232.0073264
Names & identifiers
- Preferred name
- Ethyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
- IUPAC
- ethyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylate
Names & synonyms
6301-32-2Ethyl 6-chloro-2-(methylthio)pyrimidine-4-carboxylateethyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylateNSC44197SCHEMBL8550932DTXSID80286209NSC-44197
Database identifiers
- CAS
6301-32-2- PubChem CID
- 239275
- DTXSID
DTXSID80286209
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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