2D Chemical StructureDatabase ID 2779675
No renderable structure data available
SMILES
CCOC(=O)C1=C(SC2=C1CCCC2)N=C=SStructure data verified · Database ID 2779675
Chemical Intermediate
ethyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 85716-87-6Product ID 536180
| Intermediates | ethyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
|---|---|
| IUPAC Name | — |
| CAS Number | 85716-87-6 |
| Database ID | 2779675 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
ethyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 85716-87-6) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number85716-87-6
Database ID2779675
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 2779675
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CCOC(=O)C1=C(SC2=C1CCCC2)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 85716-87-6ethyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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