Basic information
- Standard SMILES
CSc1nccc(-c2cccnc2Cl)n1- InChIKey
HDKXKCQDSKRZPR-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3S
- Average molar mass
- 237.71 g/mol
Names & identifiers
- Preferred name
- 4-(2-Chloropyridin-3-yl)-2-(methylthio)pyrimidine
- IUPAC
- 4-(2-chloro-3-pyridinyl)-2-methylsulfanylpyrimidine
Names & synonyms
4-(2-chloropyridin-3-yl)-2-(methylthio)pyrimidine870221-36-6SCHEMBL580322HDKXKCQDSKRZPR-UHFFFAOYSA-NDB-304930
Database identifiers
- PubChem CID
- 57756239
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Related reactions
8 records
Compound notes
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