2D Chemical StructureDatabase ID 123593
No renderable structure data available
SMILES
C1OC2=C(O1)C=C(C=C2)N=C=SStructure data verified · Database ID 123593
Chemical Intermediate
5-isothiocyanato-1,3-benzodioxole
CAS 113504-93-1Product ID 47705
| Intermediates | 5-isothiocyanato-1,3-benzodioxole |
|---|---|
| IUPAC Name | — |
| CAS Number | 113504-93-1 |
| Database ID | 123593 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
5-isothiocyanato-1,3-benzodioxole
5-isothiocyanato-1,3-benzodioxole (CAS 113504-93-1) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number113504-93-1
Database ID123593
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 123593
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1OC2=C(O1)C=C(C=C2)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 113504-93-15-isothiocyanato-1,3-benzodioxole
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