2D Chemical StructureDatabase ID 144947
No renderable structure data available
SMILES
C1=CC=C(C(=C1)C#N)N=C=SStructure data verified · Database ID 144947
Chemical Intermediate
2-isothiocyanatobenzonitrile
CAS 81431-98-3Product ID 523692
| Intermediates | 2-isothiocyanatobenzonitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 81431-98-3 |
| Database ID | 144947 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-isothiocyanatobenzonitrile
2-isothiocyanatobenzonitrile (CAS 81431-98-3) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number81431-98-3
Database ID144947
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 144947
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1=CC=C(C(=C1)C#N)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 81431-98-32-isothiocyanatobenzonitrile
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