Basic information
- CAS
35872-40-3- Standard SMILES
NC(=S)n1nc(-c2ccccc2)c(N=Nc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1- InChIKey
ZTWRNJLQQHIXPR-UHFFFAOYSA-N- Molecular formula
- C22H16N6O2S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.10554495
Names & identifiers
- Preferred name
- 4-[(E)-(4-Nitrophenyl)diazenyl]-3,5-diphenyl-1H-pyrazole-1-carbothioamide
- IUPAC
- 4-[(4-nitrophenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
Names & synonyms
35872-40-3NSC346846DTXSID604115324-[(E)-(4-Nitrophenyl)diazenyl]-3,5-diphenyl-1H-pyrazole-1-carbothioamideNSC-346846DS-0029961H-PYRAZOLE-1-CARBOTHIOAMIDE,4-[2-(4-NITROPHENYL)DIAZENYL]-3,5-DIPHENYL-
Database identifiers
- CAS
35872-40-3- PubChem CID
- 5227435
- DTXSID
DTXSID60411532
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
- 651
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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