5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide
Basic information
- CAS
5242-94-4- Standard SMILES
CCOc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(C)nn1C(N)=S- InChIKey
AXPREUUZHKSUGF-UHFFFAOYSA-N- Molecular formula
- C13H14N6O3S
- Average molar mass
- 334.36 g/mol
- Monoisotopic mass
- 334.0848095
Names & identifiers
- Preferred name
- 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide
- IUPAC
- 5-ethoxy-3-methyl-4-[(4-nitrophenyl)diazenyl]pyrazole-1-carbothioamide
Names & synonyms
5242-94-4NSC370182DTXSID30412399NSC-3701825-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide
Database identifiers
- CAS
5242-94-4- PubChem CID
- 5239077
- DTXSID
DTXSID30412399
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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