Basic information
- CAS
32433-56-0- Standard SMILES
CSc1ccc(S)c2ncccc12- InChIKey
KZZDIEUWRFVLCO-UHFFFAOYSA-N- Molecular formula
- C10H9NS2
- Average molar mass
- 207.3 g/mol
- Monoisotopic mass
- 207.01764164
Names & identifiers
- Preferred name
- 5-(Methylsulfanyl)quinoline-8-thiol
- IUPAC
- 5-methylsulfanylquinoline-8-thiol
Names & synonyms
32433-56-05-(Methylsulfanyl)quinoline-8-thiolDTXSID80559203RefChem:300575DTXCID605099835-(Methylthio)quinoline-8-thiol5-methylthio-8-quinolinethiol
Database identifiers
- CAS
32433-56-0- PubChem CID
- 14345729
- DTXSID
DTXSID80559203- Nikkaji
- J265.142D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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