2D Chemical StructureDatabase ID 2779936
No renderable structure data available
SMILES
CC1=C(C(=C(C(=C1C)[N+](=O)[O-])C(C)(C)C)N=C=S)CStructure data verified · Database ID 2779936
Chemical Intermediate
1-tert-butyl-2-isothiocyanato-3,4,5-trimethyl-6-nitrobenzene
CAS 680212-98-0Product ID 489739
| Intermediates | 1-tert-butyl-2-isothiocyanato-3,4,5-trimethyl-6-nitrobenzene |
|---|---|
| IUPAC Name | — |
| CAS Number | 680212-98-0 |
| Database ID | 2779936 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-tert-butyl-2-isothiocyanato-3,4,5-trimethyl-6-nitrobenzene
1-tert-butyl-2-isothiocyanato-3,4,5-trimethyl-6-nitrobenzene (CAS 680212-98-0) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number680212-98-0
Database ID2779936
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 2779936
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC1=C(C(=C(C(=C1C)[N+](=O)[O-])C(C)(C)C)N=C=S)C
- 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 680212-98-01-tert-butyl-2-isothiocyanato-3,4,5-trimethyl-6-nitrobenzene
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