2D Chemical StructureDatabase ID 4062670
No renderable structure data available
SMILES
CC(C)(C)OC(=O)C1=CC(=CC=C1)N=C=SStructure data verified · Database ID 4062670
Chemical Intermediate
tert-butyl 3-isothiocyanatobenzoate
CAS 486415-53-6Product ID 433648
| Intermediates | tert-butyl 3-isothiocyanatobenzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 486415-53-6 |
| Database ID | 4062670 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
tert-butyl 3-isothiocyanatobenzoate
tert-butyl 3-isothiocyanatobenzoate (CAS 486415-53-6) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number486415-53-6
Database ID4062670
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 4062670
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC(C)(C)OC(=O)C1=CC(=CC=C1)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 486415-53-6tert-butyl 3-isothiocyanatobenzoate
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