2D Chemical StructureDatabase ID 86665388
No renderable structure data available
SMILES
COC1=C(C=C(C=C1)C#N)N=C=SStructure data verified · Database ID 86665388
Chemical Intermediate
3-isothiocyanato-4-methoxybenzonitrile
CAS 1377582-29-0Product ID 176725
| Intermediates | 3-isothiocyanato-4-methoxybenzonitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 1377582-29-0 |
| Database ID | 86665388 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-isothiocyanato-4-methoxybenzonitrile
3-isothiocyanato-4-methoxybenzonitrile (CAS 1377582-29-0) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number1377582-29-0
Database ID86665388
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 86665388
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- COC1=C(C=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 1377582-29-03-isothiocyanato-4-methoxybenzonitrile
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