ethyl 5-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate
Basic information
- CAS
4609-53-4- Standard SMILES
CCOC(=O)c1nnsc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
PUZXLZRUIOOKEC-AWNIVKPZSA-N- Molecular formula
- C12H10N6O6S
- Average molar mass
- 366.31 g/mol
- Monoisotopic mass
- 366.03825323
Names & identifiers
- Preferred name
- ethyl 5-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate
- IUPAC
- ethyl 5-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]thiadiazole-4-carboxylate
Names & synonyms
NSC786134609-53-4DTXSID00430181NSC-78613Ethyl 5-{(E)-[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}-1,2,3-thiadiazole-4-carboxylate
Database identifiers
- CAS
4609-53-4- PubChem CID
- 9561833
- DTXSID
DTXSID00430181
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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