5-Benzyl-1-(Hydroxymethyl)-6,8-Dimethyl-2,3,4-Trithia-6,8-Diazabicyclo[3.2.2]Nonane-7,9-Dione
[CAS# 40380-25-4]

Identification

• Name: 5-Benzyl-1-(Hydroxymethyl)-6,8-Dimethyl-2,3,4-Trithia-6,8-Diazabicyclo[3.2.2]Nonane-7,9-Dione
• Synonyms: 1-(Benzyl)-6,8-Dimethyl-5-Methylol-2,3,4-Trithia-6,8-Diazabicyclo[3.2.2]Nonane-7,9-Quinone; 2,3,4-Trithia-6,8-Diazabicyclo(3.2.2)Nonane-7,9-Dione, 1-(Hydroxymethyl)-6,8-Dimethyl-5-(Phenylmethyl)-; 2,3,4-Trithia-6,8-Diazabicyclo(3.2.2)Nonane-7,9-Dione, 1-Benzyl-5-Hydroxymethyl-6,8-Dimethyl-
• Molecular Formula: C₁₄H₁₆N₂O₃S₃
• Molecular Weight: 356.47
• CAS Registry Number: 40380-25-4
• SMILES: C1=CC=CC=C1CC23N(C(=O)C(N(C2=O)C)(CO)SSS3)C
• InChI: 1S/C14H16N2O3S3/c1-15-12(19)14(9-17)16(2)11(18)13(15,20-22-21-14)8-10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3
• InChIKey: AHWKVWYCCGUYET-UHFFFAOYSA-N

Properties

• Density: 1.482g/cm³ (Cal.)
• Boiling point: 631.797°C at 760 mmHg (Cal.)
• Flash point: 335.899°C (Cal.)