2-Chlorobenzyl 4-cinnolinyl sulfide
Basic information
- CAS
6948-82-9- Standard SMILES
Clc1ccccc1CSc1cnnc2ccccc12- InChIKey
GUZWBLNIMFUHIM-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2S
- Average molar mass
- 286.8 g/mol
- Monoisotopic mass
- 286.0331472
Names & identifiers
- Preferred name
- 2-Chlorobenzyl 4-cinnolinyl sulfide
- IUPAC
- 4-[(2-chlorophenyl)methylsulfanyl]cinnoline
Names & synonyms
4-((2-Chlorobenzyl)thio)cinnoline6948-82-92-Chlorobenzyl 4-cinnolinyl sulfide4-[(2-chlorophenyl)methylsulfanyl]cinnolineNSC66096M86JJM5VMAMLS002693544NSC-66096NSC 66096UNII-M86JJM5VMANCIOpen2_002955CHEMBL1713917
Show more names
DTXSID10219702HMS3079N07SMR0015594944-[[(2-Chlorophenyl)methyl]thio]cinnolineCinnoline, 4-[[(2-chlorophenyl)methyl]thio]-4-{[(2-CHLOROPHENYL)METHYL]SULFANYL}CINNOLINE
Database identifiers
- CAS
6948-82-9- PubChem CID
- 248693
- DTXSID
DTXSID10219702- ChEMBL
CHEMBL1713917- UNII
- M86JJM5VMA
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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