Basic information
- CAS
68498-47-5- Standard SMILES
CCSc1nc(Cl)cc(Cl)n1- InChIKey
HXYSCNATUVDRMT-UHFFFAOYSA-N- Molecular formula
- C6H6Cl2N2S
- Average molar mass
- 209.1 g/mol
- Monoisotopic mass
- 207.9628748
Names & identifiers
- Preferred name
- 4,6-Dichloro-2-ethylsulfanylpyrimidine
- IUPAC
- 4,6-dichloro-2-ethylsulfanylpyrimidine
Names & synonyms
68498-47-54,6-dichloro-2-ethylsulfanylpyrimidinePyrimidine,4,6-dichloro-2-(ethylthio)-4,6-dichloro-2-(ethylsulfanyl)pyrimidineNSC827704,6-Dichloro-2-(ethylthio)pyrimidineNCIOpen2_004261SCHEMBL22142948DTXSID50292458NSC-82770
Database identifiers
- CAS
68498-47-5- PubChem CID
- 256231
- DTXSID
DTXSID50292458
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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