2D Chemical StructureDatabase ID 22908117
No renderable structure data available
SMILES
C1=CC(=CC=C1C#N)C(=O)N=C=SStructure data verified · Database ID 22908117
Chemical Intermediate
4-cyanobenzoyl isothiocyanate
CAS 54779-85-0Product ID 451683
| Intermediates | 4-cyanobenzoyl isothiocyanate |
|---|---|
| IUPAC Name | — |
| CAS Number | 54779-85-0 |
| Database ID | 22908117 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
4-cyanobenzoyl isothiocyanate
4-cyanobenzoyl isothiocyanate (CAS 54779-85-0) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number54779-85-0
Database ID22908117
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 22908117
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1=CC(=CC=C1C#N)C(=O)N=C=S
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 54779-85-04-cyanobenzoyl isothiocyanate
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