N-(4-Diazo-2-(((2,5-xylyl)amino)sulphonyl)cyclohexa-2,5-dien-1-ylidene)-p-toluenesulphonamide

Base Information

• Chemical Name: N-(4-Diazo-2-(((2,5-xylyl)amino)sulphonyl)cyclohexa-2,5-dien-1-ylidene)-p-toluenesulphonamide
• CAS No.: 17119-22-1
• Molecular Formula: C21H20 N4 O4 S2
• Molecular Weight: 456.5379
• Mol file: 17119-22-1.mol

Synonyms:EINECS 241-183-9;N-(4-Diazo-2-(((2,5-xylyl)amino)sulphonyl)cyclohexa-2,5-dien-1-ylidene)-p-toluenesulphonamide

Chemical Property of N-(4-Diazo-2-(((2,5-xylyl)amino)sulphonyl)cyclohexa-2,5-dien-1-ylidene)-p-toluenesulphonamide

Chemical Property:

• PSA: 146.82000
• LogP: 5.62356
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 456.09259748
• Heavy Atom Count: 31
• Complexity: 1030

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=[N+]=[N-])C=C2S(=O)(=O)NC3=C(C=CC(=C3)C)C
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=CC(=[N+]=[N-])C=C2S(=O)(=O)NC3=C(C=CC(=C3)C)C