1-Methyl-4-(2-(methylsulfonyl)hydrazono)-2-phenyl-1,4-dihydroquinoline-6-sulfonic acid

Base Information

• Chemical Name: 1-Methyl-4-(2-(methylsulfonyl)hydrazono)-2-phenyl-1,4-dihydroquinoline-6-sulfonic acid
• CAS No.: 50380-19-3
• Molecular Formula: C17H17N3O5S2
• Molecular Weight: 407.464
• European Community (EC) Number: 665-859-1
• NSC Number: 308791
• DSSTox Substance ID: DTXSID70421243
• Wikidata: Q76306097
• ChEMBL ID: CHEMBL1987201
• Mol file: 50380-19-3.mol

Synonyms:MLS003115859;50380-19-3;NSC308791;CHEMBL1987201;DTXSID70421243;NSC-308791;1-Methyl-4-(2-(methylsulfonyl)hydrazono)-2-phenyl-1,4-dihydroquinoline-6-sulfonic acid

Chemical Property of 1-Methyl-4-(2-(methylsulfonyl)hydrazono)-2-phenyl-1,4-dihydroquinoline-6-sulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.47g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 407.06096300
• Heavy Atom Count: 27
• Complexity: 818

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=C(C=C2)S(=O)(=O)O)C(=NNS(=O)(=O)C)C=C1C3=CC=CC=C3
• Isomeric SMILES: CN1C2=C(C=C(C=C2)S(=O)(=O)O)/C(=N/NS(=O)(=O)C)/C=C1C3=CC=CC=C3

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