Basic information
- CAS
29147-15-7- Standard SMILES
Cc1ccc(N=Nc2c(C)nn(C(N)=S)c2-c2ccccc2)c(C)c1- InChIKey
INICIGJFJRKDRS-UHFFFAOYSA-N- Molecular formula
- C19H19N5S
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.1361168
Names & identifiers
- Preferred name
- 4-[(2,4-Dimethylphenyl)diazenyl]-3-methyl-5-phenylpyrazole-1-carbothioamide
- IUPAC
- 4-[(2,4-dimethylphenyl)diazenyl]-3-methyl-5-phenylpyrazole-1-carbothioamide
Names & synonyms
29147-15-7NSC1270864-[(2,4-dimethylphenyl)diazenyl]-3-methyl-5-phenylpyrazole-1-carbothioamideDTXSID40398150NSC-1270864-[(E)-(2,4-dimethylphenyl)diazenyl]-3-methyl-5-phenyl-1H-pyrazole-1-carbothioamide
Database identifiers
- CAS
29147-15-7- PubChem CID
- 3945280
- DTXSID
DTXSID40398150
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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