1,3-Dioxo-2-(4-Sulfanylphenyl)-5-Isoindolinecarboxylic Acid
[CAS# 332129-06-3]

Identification

• Name: 1,3-Dioxo-2-(4-Sulfanylphenyl)-5-Isoindolinecarboxylic Acid
• Synonyms: 2-(4-Mercapto-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid; 2-(4-mercaptophenyl)-1,3-dioxo-5-isoindolinecarboxylic acid; 2-(4-mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid
• Molecular Formula: C₁₅H₉NO₄S
• Molecular Weight: 299.30
• CAS Registry Number: 332129-06-3
• SMILES: O=C(O)c1ccc2C(=O)N(C(=O)c2c1)c3ccc(S)cc3
• InChI: 1S/C15H9NO4S/c17-13-11-6-1-8(15(19)20)7-12(11)14(18)16(13)9-2-4-10(21)5-3-9/h1-7,21H,(H,19,20)
• InChIKey: NUXCZVSGXYONCO-UHFFFAOYSA-N

Properties

• Density: 1.56g/cm³ (Cal.)
• Boiling point: 591.922°C at 760 mmHg (Cal.)
• Flash point: 311.783°C (Cal.)
• Refractive index: 1.737 (Cal.)