2D Chemical StructureDatabase ID 613375
No renderable structure data available
SMILES
COC(=O)C1=CC(=CC(=C1)N=C=S)C(=O)OCStructure data verified · Database ID 613375
Chemical Intermediate
dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate
CAS 72076-50-7Product ID 501082
| Intermediates | dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate |
|---|---|
| IUPAC Name | — |
| CAS Number | 72076-50-7 |
| Database ID | 613375 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate
dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate (CAS 72076-50-7) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number72076-50-7
Database ID613375
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 613375
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)C(=O)OC
- 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 72076-50-7dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate
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