Ethyl 4-chloro-2-methylthio-pyrimidine-5-carboxylate
Basic information
- Standard SMILES
CCOC(=S)c1cnc(C)nc1Cl- InChIKey
QXAHJILNWYDAIV-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2OS
- Average molar mass
- 216.69 g/mol
- Monoisotopic mass
- 216.0124118
Names & identifiers
- Preferred name
- Ethyl 4-chloro-2-methylthio-pyrimidine-5-carboxylate
- IUPAC
- O-ethyl 4-chloro-2-methylpyrimidine-5-carbothioate
Names & synonyms
SCHEMBL243274QXAHJILNWYDAIV-UHFFFAOYSA-Nethyl 4-chloro-2-methylthio-pyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 53249641
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Related reactions
46 records
Compound notes
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