Basic information
- CAS
478047-88-0- Standard SMILES
c1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1- InChIKey
VOXGIULEUXICAQ-UHFFFAOYSA-N- Molecular formula
- C19H16N2S
- Average molar mass
- 304.4 g/mol
Names & identifiers
- Preferred name
- 3-(Benzylsulfanyl)-5,6-dihydrobenzo[h]cinnoline
- IUPAC
- 3-benzylsulfanyl-5,6-dihydrobenzo[h]cinnoline
- English name
- 3-(Benzylsulfanyl)-5,6-dihydrobenzo[h]cinnoline
- Molecular formula
- C19H16N2S
- Molecular weight
- 304.41
Names & synonyms
478047-88-03-(benzylsulfanyl)-5,6-dihydrobenzo[h]cinnoline3-benzylsulfanyl-5,6-dihydrobenzo[h]cinnoline3-(benzylsulfanyl)-5H,6H-benzo[h]cinnolineAKOS0050932043-(Benzylthio)-5,6-dihydrobenzo[h]cinnoline4R-1246BENZYL 5,6-DIHYDROBENZO[H]CINNOLIN-3-YL SULFIDEBenzo[h]cinnoline, 5,6-dihydro-3-[(phenylmethyl)thio]-
Database identifiers
- CAS
478047-88-0
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 539.9 · 539.9±50.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 2.32 · 2.32±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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