Basic information
- CAS
201991-90-4- Standard SMILES
Cc1cc(Sc2ccc(Cl)cc2)ncn1- InChIKey
SXJUINSEOOPEOV-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2S
- Average molar mass
- 236.72 g/mol
- Monoisotopic mass
- 236.0174972
Names & identifiers
- Preferred name
- 4-[(4-Chlorophenyl)sulfanyl]-6-methylpyrimidine
- IUPAC
- 4-(4-chlorophenyl)sulfanyl-6-methylpyrimidine
Names & synonyms
4-[(4-Chlorophenyl)thio]-6-methylpyrimidine201991-90-44-[(4-chlorophenyl)sulfanyl]-6-methylpyrimidine4-(4-chlorophenyl)sulfanyl-6-methylpyrimidineDTXSID501263567AKOS001449163ST509837904-chloro-1-(6-methylpyrimidin-4-ylthio)benzeneZ277468394
Database identifiers
- CAS
201991-90-4- PubChem CID
- 3846005
- DTXSID
DTXSID501263567
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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