2D Chemical StructureDatabase ID 137833
No renderable structure data available
SMILES
COC(=O)C1=CC(=CC=C1)N=C=SStructure data verified · Database ID 137833
Chemical Intermediate
methyl 3-isothiocyanatobenzoate
CAS 3125-66-4Product ID 375431
| Intermediates | methyl 3-isothiocyanatobenzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 3125-66-4 |
| Database ID | 137833 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 3-isothiocyanatobenzoate
methyl 3-isothiocyanatobenzoate (CAS 3125-66-4) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number3125-66-4
Database ID137833
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 137833
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)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 3125-66-4methyl 3-isothiocyanatobenzoate
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