4-Pyridinecarboxylic acid, (2-(4-(dodecylthio)phenyl)-2-oxoethylidene)hydrazide

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Basic information

CAS: 53066-95-8
Standard SMILES: CCCCCCCCCCCCSc1ccc(C(=O)/C=N/NC(=O)c2ccncc2)cc1
InChIKey: ROYIJOBMUARXPX-SGWCAAJKSA-N
Molecular formula: C26H35N3O2S
Average molar mass: 453.6 g/mol
Monoisotopic mass: 453.24499854

Names & identifiers

Preferred name: 4-Pyridinecarboxylic acid, (2-(4-(dodecylthio)phenyl)-2-oxoethylidene)hydrazide
IUPAC: N-[(E)-[2-(4-dodecylsulfanylphenyl)-2-oxoethylidene]amino]pyridine-4-carboxamide

Names & synonyms

4-Pyridinecarboxylic acid, (2-(4-(dodecylthio)phenyl)-2-oxoethylidene)hydrazide53066-95-8RefChem:1071533BRN 09429864-Laurylthiophenylglyoxal isonicotinylhydrazone

Database identifiers

CAS: 53066-95-8
PubChem CID: 9554241

Properties

Computed structural properties

XLogP: 8.3
Topological polar surface area: 96.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 16
Heavy atoms: 32
Formal charge: 0
Complexity: 541

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Compound notes

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