(4Z)-4-[2-(2,5-dichlorophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Basic information
- CAS
26179-06-6- Standard SMILES
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1cc(Cl)ccc1Cl- InChIKey
HMSNFXZAMNVPQL-UHFFFAOYSA-N- Molecular formula
- C11H9Cl2N5OS
- Average molar mass
- 330.2 g/mol
- Monoisotopic mass
- 328.9904865
Names & identifiers
- Preferred name
- (4Z)-4-[2-(2,5-dichlorophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
- IUPAC
- 4-[(2,5-dichlorophenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
Names & synonyms
NSC12480126179-06-6SCHEMBL13668094DTXSID90426114STK084981AKOS000486392AKOS001612757NSC-124801ST036579(4E)-4-[2-(2,5-dichlorophenyl)hydrazin-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide(4E)-4-[2-(2,5-Dichlorophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide(4Z)-4-[2-(2,5-dichlorophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Show more names
1-(aminothioxomethyl)-4-{[(2,5-dichlorophenyl)amino]azamethylene}-3-methyl-1,2 -diazolin-5-one
Database identifiers
- CAS
26179-06-6- PubChem CID
- 708175
- DTXSID
DTXSID90426114
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
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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