Benzo[b]thiophen-2-amine, 3-phenyl-N-(phenylmethylene)-
Basic information
- CAS
51324-20-0- Standard SMILES
C(=Nc1sc2ccccc2c1-c1ccccc1)c1ccccc1- InChIKey
SCNLIJKRECMUPE-UHFFFAOYSA-N- Molecular formula
- C21H15NS
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.09252066
Names & identifiers
- Preferred name
- Benzo[b]thiophen-2-amine, 3-phenyl-N-(phenylmethylene)-
- IUPAC
- 1-phenyl-N-(3-phenyl-1-benzothiophen-2-yl)methanimine
- English name
- 3-Phenyl-N-(phenylmethylene)benzo[b]thiophen-2-amine
- Molecular formula
- C21H15NS
- Molecular weight
- 313.42
Names & synonyms
Benzo[b]thiophen-2-amine, 3-phenyl-N-(phenylmethylene)-51324-20-01-phenyl-N-(3-phenyl-1-benzothiophen-2-yl)methanimineDTXSID803479603-Phenyl-N-(phenylmethylene)benzo[b]thiophen-2-amine
Database identifiers
- CAS
51324-20-0- PubChem CID
- 628630
- DTXSID
DTXSID80347960
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Boiling point
- 539.224 · 539.224±43.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.136 · 1.136±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.142 · 3.142±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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