2-(5-Methyl-1,3,4-Thiadiazol-2-Yl)-1,3-Dioxo-5-Isoindolinecarboxylic Acid
[CAS# 384795-95-3]

Identification

• Name: 2-(5-Methyl-1,3,4-Thiadiazol-2-Yl)-1,3-Dioxo-5-Isoindolinecarboxylic Acid
• Synonyms: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid; 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxylic acid
• Molecular Formula: C₁₂H₇N₃O₄S
• Molecular Weight: 289.27
• CAS Registry Number: 384795-95-3
• SMILES: O=C(O)c3ccc2c(C(=O)N(c1nnc(s1)C)C2=O)c3
• InChI: 1S/C12H7N3O4S/c1-5-13-14-12(20-5)15-9(16)7-3-2-6(11(18)19)4-8(7)10(15)17/h2-4H,1H3,(H,18,19)
• InChIKey: YTEWAJRAZAWJGY-UHFFFAOYSA-N

Properties

• Density: 1.687g/cm³ (Cal.)
• Boiling point: 631.236°C at 760 mmHg (Cal.)
• Flash point: 335.56°C (Cal.)
• Refractive index: 1.729 (Cal.)