(1S)-1-(Hydroxymethyl)-5,7-dimethyl-4-(phenylmethyl)-2,3-Dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
[CAS# 51920-94-6]

Identification

• Name: (1S)-1-(Hydroxymethyl)-5,7-dimethyl-4-(phenylmethyl)-2,3-Dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
• Synonyms: (4S)-1-(Benzyl)-3,6-Dimethyl-4-Methylol-7,8-Dithia-3,6-Diazabicyclo[2.2.2]Octane-2,5-Quinone; 2,3-Dithia-5,7-Diazabicyclo(2.2.2)Octane-6,8-Dione, 1-(Hydroxymethyl)-5,7-Dimethyl-4-(Phenylmethyl)-, (1S)-; Hyalodendrin
• Molecular Formula: C₁₄H₁₆N₂O₃S₂
• Molecular Weight: 324.41
• CAS Registry Number: 51920-94-6
• SMILES: [C@@]12(SSC(N(C1=O)C)(C(=O)N2C)CC3=CC=CC=C3)CO
• 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/t13?,14-/m0/s1
• InChIKey: SJRIMIDQFZMJPZ-KZUDCZAMSA-N

Properties

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