Basic information
- CAS
478029-29-7- Standard SMILES
S=c1cc(N2CCCCC2)c(-c2ccccc2)n[nH]1- InChIKey
IARYYXHIESMNAG-UHFFFAOYSA-N- Molecular formula
- C15H17N3S
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.11431873
Names & identifiers
- Preferred name
- 6-Phenyl-5-piperidino-3-pyridazinethiol
- IUPAC
- 3-phenyl-4-piperidin-1-yl-1H-pyridazine-6-thione
- English name
- 6-PHENYL-5-PIPERIDINO-3-PYRIDAZINETHIOL
- Molecular formula
- C15H17N3S
- Molecular weight
- 271.38
Names & synonyms
6-phenyl-5-piperidino-3-pyridazinethiol478029-29-76-phenyl-5-(piperidin-1-yl)pyridazine-3-thiol3-phenyl-4-piperidin-1-yl-1H-pyridazine-6-thioneOprea1_685851MFCD02102620AKOS0050863982R-10633-phenyl-4-(1-piperidyl)-1H-pyridazine-6-thione6-PHENYL-5-PIPERIDINO-3-PYRIDAZINYLHYDROSULFIDE6-Phenyl-5-(piperidin-1-yl)pyridazine-3(2H)-thione3(2H)-Pyridazinethione, 6-phenyl-5-(1-piperidinyl)-
Database identifiers
- CAS
478029-29-7- PubChem CID
- 1472477
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Boiling point
- 409.3 · 409.3±48.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 8.09 · 8.09±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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