Basic information
- CAS
60948-47-2- Standard SMILES
Cc1ccc2cccc(SCc3ccc([N+](=O)[O-])cc3)c2n1- InChIKey
OTLBYOLXMGMBTN-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2S
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.07759887
Names & identifiers
- Preferred name
- 2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline
- IUPAC
- 2-methyl-8-[(4-nitrophenyl)methylsulfanyl]quinoline
Names & synonyms
2-Methyl-8-(4-nitro-benzylsulfanyl)-quinoline60948-47-22-methyl-8-((4-nitrobenzyl)thio)quinoline2-methyl-8-[(4-nitrobenzyl)thio]quinoline2-methyl-8-[(4-nitrophenyl)methylsulfanyl]quinolineCBMicro_042584Cambridge id 6049690Oprea1_131505Oprea1_579175CHEMBL5483513DTXSID40353921STL069875
Show more names
AKOS000639703CCG-335870BIM-0042799.P0012-methyl-8-[(4-nitrobenzyl)sulfanyl]quinolineSR-01000510878SR-01000510878-12-METHYL-8-{[(4-NITROPHENYL)METHYL]SULFANYL}QUINOLINE6049-69-0
Database identifiers
- CAS
60948-47-2- PubChem CID
- 759028
- DTXSID
DTXSID40353921- ChEMBL
CHEMBL5483513
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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