Basic information
- CAS
26179-03-3- Standard SMILES
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1c(Cl)cccc1Cl- InChIKey
JONGPQVWJNZATQ-UHFFFAOYSA-N- Molecular formula
- C11H9Cl2N5OS
- Average molar mass
- 330.2 g/mol
- Monoisotopic mass
- 328.9904865
Names & identifiers
- Preferred name
- 4-[(2,6-dichlorophenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
- IUPAC
- 4-[(2,6-dichlorophenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
Names & synonyms
NSC12480226179-03-3DTXSID30422933NSC-124802(4E)-4-[(2,6-dichlorophenyl)hydrazono]-3-methyl-5-oxo-pyrazole-1-carbothioamide(4E)-4-[(2,6-Dichlorophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide(4E)-4-[2-(2,6-Dichlorophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Database identifiers
- CAS
26179-03-3- PubChem CID
- 3907178
- DTXSID
DTXSID30422933
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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