84452-54-0

Basic information

• Product Name: Benzenesulfenamide, 4-methoxy-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
• CAS NO: 84452-54-0
• Molecular Formula: C13H11NO2S
• Molecular Weight: 245.302
• Mol File: 84452-54-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzenesulfenamide, 4-methoxy-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenesulfenamide, 4-methoxy-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-(84452-54-0)
• EPA Substance Registry System: Benzenesulfenamide, 4-methoxy-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-(84452-54-0)

Safety Data

• Hazardous Substances Data: 84452-54-0(Hazardous Substances Data)

Upstream product

• 1950-65-8 4-methoxybenzenesulfenyl chloride 
• 123-30-8 4-amino-phenol 

Downstream Products

• 89320-05-8 C₁₃H₇Cl₄NO₂S 
• 1146-48-1 benzenethiosulfonic acid S-(4-methoxyphenyl) ester 
• 84452-50-6 benzenesulfinate of 2-phenylsulfonyl-4-aminophenol 
• 1212-08-4 S-Phenyl benzenethiosulfonate 
• 84452-49-3 2-phenylsulfonyl-4-aminophenol 

Relevant articles and documents

Z, E-Isomerization mechanism for N-arylthio-1,4-benzoquinonimines: DNMR and DFT investigations

Z, E-Isomerization has been investigated for the series of the N-arylthio-1,4-benzoquinonimines using a line shape analysis in the 1H NMR spectra. Thermodynamic parameters and substituent effects have been analyzed for the isomerization process. It has been shown based on the DFT (B3LYP) calculations that the dynamic transformation for N-arylthio-1,4- benzoquinonimines should be considered as a combination of the two different processes, a rotation about the N-S bond and an inversion at nitrogen via the transition state with the linear C = N-S moiety. The free energies of activation for the isomerization (ΔG298 K) measured experimentally depend on the substitution in the quinonimine moiety and phenyl ring and can be referred either to the inversion of the nitrogen atom or to the hindered rotation about the N-S bond. Copyright