4-Thioxo-1,3(2H,4H)-isoquinolinedione
[CAS# 938-38-5]

Identification

• Name: 4-Thioxo-1,3(2H,4H)-isoquinolinedione
• Synonyms: 3(2H)-Isoquinolinone, 1,4-dihydro-1-thioxo-
• Molecular Formula: C₉H₅NO₂S
• Molecular Weight: 191.21
• CAS Registry Number: 938-38-5
• SMILES: C1=CC=C2C(=C1)C(=S)C(=O)NC2=O
• InChI: 1S/C9H5NO2S/c11-8-6-4-2-1-3-5(6)7(13)9(12)10-8/h1-4H,(H,10,11,12)
• InChIKey: KPZBEJZGJNZZBJ-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)