3,5-Dimethyl-4-[(E)-(3-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide
Basic information
- CAS
35872-20-9- Standard SMILES
Cc1nn(C(N)=S)c(C)c1N=Nc1cccc([N+](=O)[O-])c1- InChIKey
YSAVLNJYKNIGSQ-UHFFFAOYSA-N- Molecular formula
- C12H12N6O2S
- Average molar mass
- 304.33 g/mol
- Monoisotopic mass
- 304.07424482
Names & identifiers
- Preferred name
- 3,5-Dimethyl-4-[(E)-(3-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide
- IUPAC
- 3,5-dimethyl-4-[(3-nitrophenyl)diazenyl]pyrazole-1-carbothioamide
Names & synonyms
35872-20-9NSC127100DTXSID804044013,5-Dimethyl-4-[(E)-(3-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamideNSC-127100
Database identifiers
- CAS
35872-20-9- PubChem CID
- 4572736
- DTXSID
DTXSID80404401
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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