2D Chemical StructureDatabase ID 76578
No renderable structure data available
SMILES
C1=CC(=CC(=C1)N=C=S)C#NStructure data verified · Database ID 76578
Chemical Intermediate
3-isothiocyanatobenzonitrile
CAS 3125-78-8Product ID 375434
| Intermediates | 3-isothiocyanatobenzonitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 3125-78-8 |
| Database ID | 76578 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-isothiocyanatobenzonitrile
3-isothiocyanatobenzonitrile (CAS 3125-78-8) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number3125-78-8
Database ID76578
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 76578
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1=CC(=CC(=C1)N=C=S)C#N
- 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 3125-78-83-isothiocyanatobenzonitrile
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