(4Z)-4-[2-(2-methoxyphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

HCID 4438005

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Basic information

CAS: 26281-09-4
Standard SMILES: COc1ccccc1N=Nc1c(C)[nH]n(C(N)=S)c1=O
InChIKey: RBJWAMCSYUTQLU-UHFFFAOYSA-N
Molecular formula: C12H13N5O2S
Average molar mass: 291.33 g/mol
Monoisotopic mass: 291.07899585

Names & identifiers

Preferred name: (4Z)-4-[2-(2-methoxyphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
IUPAC: 4-[(2-methoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide

Names & synonyms

NSC12479526281-09-4DTXSID10422037NSC-124795(4Z)-4-[2-(2-methoxyphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide4-[2-(2-Methoxyphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H- pyrazole-1-carbothioamide

Database identifiers

CAS: 26281-09-4
PubChem CID: 4438005
DTXSID: DTXSID10422037

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 124 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 476

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