4-[(3-Nitrophenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
Basic information
- CAS
24743-53-1- Standard SMILES
NC(=S)n1nc(-c2ccccc2)c(N=Nc2cccc([N+](=O)[O-])c2)c1-c1ccccc1- InChIKey
RSLXOBKJXMSGHP-UHFFFAOYSA-N- Molecular formula
- C22H16N6O2S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.10554495
Names & identifiers
- Preferred name
- 4-[(3-Nitrophenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
- IUPAC
- 4-[(3-nitrophenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
Names & synonyms
NSC12864524743-53-1DTXSID90402296NSC-1286454-[(E)-(3-Nitrophenyl)diazenyl]-3,5-diphenyl-1H-pyrazole-1-carbothioamide
Database identifiers
- CAS
24743-53-1- PubChem CID
- 4354889
- DTXSID
DTXSID90402296
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 659
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…