2D Chemical StructureDatabase ID 46779826
No renderable structure data available
SMILES
COC(=O)C1=CC=CC(=C1)CN=C=SStructure data verified · Database ID 46779826
Chemical Intermediate
methyl 3-(isothiocyanatomethyl)benzoate
CAS 448948-73-0Product ID 426557
| Intermediates | methyl 3-(isothiocyanatomethyl)benzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 448948-73-0 |
| Database ID | 46779826 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 3-(isothiocyanatomethyl)benzoate
methyl 3-(isothiocyanatomethyl)benzoate (CAS 448948-73-0) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number448948-73-0
Database ID46779826
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 46779826
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- COC(=O)C1=CC=CC(=C1)CN=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 448948-73-0methyl 3-(isothiocyanatomethyl)benzoate
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