S-[3-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)Propyl] Ethanethioate
[CAS 221218-66-2]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Amine
• Name: S-[3-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)Propyl] Ethanethioate
• Synonyms: N-(-3-ACETYLTHIOPROPYL)PHTHALIMIDE; 545597_ALDRICH
• Molecular Formula: C₁₃H₁₃NO₃S
• Molecular Weight: 263.31
• CAS Registry Number: 221218-66-2
• SMILES: O=C2c1ccccc1C(=O)N2CCCSC(=O)C
• InChI: 1S/C13H13NO3S/c1-9(15)18-8-4-7-14-12(16)10-5-2-3-6-11(10)13(14)17/h2-3,5-6H,4,7-8H2,1H3
• InChIKey: QDCSBRSBDZXURK-UHFFFAOYSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 406.073°C at 760 mmHg (Cal.)
• Flash point: 199.386°C (Cal.)
• Refractive index: 1.602 (Cal.)