2D Chemical StructureDatabase ID 4512760
No renderable structure data available
SMILES
COC(=O)C1=C(SC2=C1CCCC2)N=C=SStructure data verified · Database ID 4512760
Chemical Intermediate
methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 588694-54-6Product ID 463413
| Intermediates | methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
|---|---|
| IUPAC Name | — |
| CAS Number | 588694-54-6 |
| Database ID | 4512760 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 588694-54-6) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number588694-54-6
Database ID4512760
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 4512760
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- COC(=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 588694-54-6methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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