(-)-1-Hydroxymethyl-5,7-Dimethyl-4-Benzyl-2,3-Dithia-5,7-Diazabicyclo[2.2.2]Octane-6,8-Dione
[CAS# 40380-24-3]

Identification

• Name: (-)-1-Hydroxymethyl-5,7-Dimethyl-4-Benzyl-2,3-Dithia-5,7-Diazabicyclo[2.2.2]Octane-6,8-Dione
• Synonyms: 1-(Benzyl)-3,6-Dimethyl-4-Methylol-7,8-Dithia-3,6-Diazabicyclo[2.2.2]Octane-2,5-Quinone; 1-Benzyl-1,4-Dimethyl-5-Hydroxymethyl-2,5-Epi-Dithio-3,6-Diketopiperazine; 2,3-Dithia-5,7-Diazabicyclo(2.2.2)Octane-6,8-Dione, 1-Benzyl-4-Hydroxymethyl-5,7
• Molecular Formula: C₁₄H₁₆N₂O₃S₂
• Molecular Weight: 324.41
• CAS Registry Number: 40380-24-3
• SMILES: C3=C(CC12N(C(=O)C(SS1)(CO)N(C2=O)C)C)C=CC=C3
• InChI: 1S/C14H16N2O3S2/c1-15-12(19)14(9-17)16(2)11(18)13(15,20-21-14)8-10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3
• InChIKey: SJRIMIDQFZMJPZ-UHFFFAOYSA-N

Properties

• Density: 1.452g/cm³ (Cal.)
• Boiling point: 580.498°C at 760 mmHg (Cal.)
• Flash point: 304.875°C (Cal.)