Methylsulfasalazine
[CAS# 42753-53-7]

Identification

• Name: Methylsulfasalazine
• Synonyms: (3Z)-3-[[4-[(3-Methyl-2-Pyridyl)Sulfamoyl]Phenyl]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylic Acid; (3Z)-3-[[4-[(3-Methyl-2-Pyridyl)Sulfamoyl]Phenyl]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylic Acid; (3Z)-6-Keto-3-[[4-[(3-Methyl-2-Pyridyl)Sulfamoyl]Phenyl]Hydrazono]Cyclohexa-1,4-Diene-1-Carboxylic Acid
• Molecular Formula: C₁₉H₁₆N₄O₅S
• Molecular Weight: 412.42
• CAS Registry Number: 42753-53-7
• SMILES: C2=C([S](=O)(=O)NC1=C(C=CC=N1)C)C=CC(=C2)N\N=C3/C=C(C(=O)C=C3)C(O)=O
• InChI: 1S/C19H16N4O5S/c1-12-3-2-10-20-18(12)23-29(27,28)15-7-4-13(5-8-15)21-22-14-6-9-17(24)16(11-14)19(25)26/h2-11,21H,1H3,(H,20,23)(H,25,26)/b22-14-
• InChIKey: QMLVDKSQYBOYNS-HMAPJEAMSA-N

Properties

• Desity: 1.458g/cm³ (Cal.)
• Boiling point: 633.245°C at 760 mmHg (Cal.)
• Flash point: 336.774°C (Cal.)