2,4-Dibenzyl-3-thioxo-1,2,4-thiadiazolidin-5-one
[CAS# 72966-20-2]

Identification

• Name: 2,4-Dibenzyl-3-thioxo-1,2,4-thiadiazolidin-5-one
• Synonyms: 2,4-Dibenzyl-3-thioxo-[1,2,4]thiadiazolidin-5-one; 2,4-Dibenzyl-5-oxothiadiazolidine-3-thione
• Molecular Formula: C₁₆H₁₄N₂OS₂
• Molecular Weight: 314.43
• CAS Registry Number: 72966-20-2
• SMILES: C1=CC=C(C=C1)CN2C(=S)N(SC2=O)CC3=CC=CC=C3
• InChI: 1S/C16H14N2OS2/c19-16-17(11-13-7-3-1-4-8-13)15(20)18(21-16)12-14-9-5-2-6-10-14/h1-10H,11-12H2
• InChIKey: RUJZRLFQRAMGNM-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 457.0±48.0°C at 760 mmHg (Cal.)
• Flash point: 230.2±29.6°C (Cal.)