4-Chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine
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Basic information
- CAS
321328-88-5- Standard SMILES
CSc1nc(Cl)cc(-n2ccnc2)n1- InChIKey
BWKHBRATJFLINE-UHFFFAOYSA-N- Molecular formula
- C8H7ClN4S
- Average molar mass
- 226.69 g/mol
- Monoisotopic mass
- 226.0079951
Names & identifiers
- Preferred name
- 4-Chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine
- IUPAC
- 4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine
- English name
- 4-CHLORO-6-(1H-IMIDAZOL-1-YL)-2-(METHYLTHIO)PYRIMIDINE
- Molecular formula
- C8H7ClN4S
- Molecular weight
- 226.69
Names & synonyms
4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine321328-88-5SCHEMBL6141180AKOS017562142DB-2629944-chloro-6-(1h-imidazol-1-yl)-2-(methylthio)pyrimidine4-chloro-6-(1-imidazolyl)-2-methylthiopyrimidinePyrimidine, 4-chloro-6-(1H-imidazol-1-yl)-2-(methylthio)-
Database identifiers
- CAS
321328-88-5- PubChem CID
- 22349985
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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