2D Chemical StructureDatabase ID 3938430
No renderable structure data available
SMILES
CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]Structure data verified · Database ID 3938430
Chemical Intermediate
ethyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate
CAS 59921-64-1Product ID 695292
| Intermediates | ethyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 59921-64-1 |
| Database ID | 3938430 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
ethyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate
ethyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate (CAS 59921-64-1) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number59921-64-1
Database ID3938430
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 3938430
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
- 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 59921-64-1ethyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate
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