Basic information
- CAS
64895-59-6- Standard SMILES
COc1ccc(Sc2c(OC)cc(N)c3ncccc23)cc1- InChIKey
CPBJSZORQJNJEG-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2S
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.09324893
Names & identifiers
- Preferred name
- 5-[p-Methoxyphenylthio]-6-methoxy-8-aminoquinoline
- IUPAC
- 6-methoxy-5-(4-methoxyphenyl)sulfanylquinolin-8-amine
- English name
- 6-Methoxy-5-[(4-methoxyphenyl)sulfanyl]-8-quinolinamine
- Molecular formula
- C17H16N2O2S
- Molecular weight
- 312.39
Names & synonyms
64895-59-66-Methoxy-5-((4-methoxyphenyl)thio)quinolin-8-amine5-[p-Methoxyphenylthio]-6-methoxy-8-aminoquinolineDTXSID00347947CPBJSZORQJNJEG-UHFFFAOYSA-N6-Methoxy-5-[(4-methoxyphenyl)sulfanyl]quinolin-8-amine6-Methoxy-5-[(4-methoxyphenyl)sulfanyl]-8-quinolinamine #8-Quinolinamine, 6-methoxy-5-[(4-methoxyphenyl)thio]-6-Methoxy-5-[(4-methoxyphenyl)sulfanyl]-8-quinolinamine
Database identifiers
- CAS
64895-59-6- PubChem CID
- 628465
- DTXSID
DTXSID00347947
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Boiling point
- 530.3 · 530.3±50.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 2.88 · 2.88±0.12(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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