2D Chemical StructureDatabase ID 145513
No renderable structure data available
SMILES
CC(C)C(C(=O)OC)N=C=SStructure data verified · Database ID 145513
Chemical Intermediate
methyl 2-isothiocyanato-3-methylbutanoate
CAS 21055-41-4Product ID 331754
| Intermediates | methyl 2-isothiocyanato-3-methylbutanoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 21055-41-4 |
| Database ID | 145513 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 2-isothiocyanato-3-methylbutanoate
methyl 2-isothiocyanato-3-methylbutanoate (CAS 21055-41-4) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number21055-41-4
Database ID145513
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 145513
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC(C)C(C(=O)OC)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 21055-41-4methyl 2-isothiocyanato-3-methylbutanoate
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