3-Methyl-4-[(2-methylphenyl)diazenyl]-5-phenylpyrazole-1-carbothioamide
Basic information
- CAS
29147-06-6- Standard SMILES
Cc1ccccc1N=Nc1c(C)nn(C(N)=S)c1-c1ccccc1- InChIKey
RFAHKQOFUPLWKW-UHFFFAOYSA-N- Molecular formula
- C18H17N5S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.12046674
Names & identifiers
- Preferred name
- 3-Methyl-4-[(2-methylphenyl)diazenyl]-5-phenylpyrazole-1-carbothioamide
- IUPAC
- 3-methyl-4-[(2-methylphenyl)diazenyl]-5-phenylpyrazole-1-carbothioamide
Names & synonyms
29147-06-6NSC1270893-methyl-4-[(2-methylphenyl)diazenyl]-5-phenylpyrazole-1-carbothioamideDTXSID70394903NSC-1270893-Methyl-4-[(E)-(2-methylphenyl)diazenyl]-5-phenyl-1H-pyrazole-1-carbothioamide
Database identifiers
- CAS
29147-06-6- PubChem CID
- 3673864
- DTXSID
DTXSID70394903
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
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Compound notes
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