2-(4-Methylsulfanylphenyl)-1,3,6,2-Dioxazaborocane
[CAS# 73688-90-1]

Identification

• Name: 2-(4-Methylsulfanylphenyl)-1,3,6,2-Dioxazaborocane
• Synonyms: 2-[4-(Methylthio)Phenyl]-1,3,6,2-Dioxazaborocane; 2,2-Iminodiethyl P-Methylthiobenzeneboronate; Benzeneboronic Acid, P-Methylthio-, 2,2-Iminodiethyl Ester
• Molecular Formula: C₁₁H₁₆BNO₂S
• Molecular Weight: 237.12
• CAS Registry Number: 73688-90-1
• SMILES: C1=CC(=CC=C1B2OCCNCCO2)SC
• InChI: 1S/C11H16BNO2S/c1-16-11-4-2-10(3-5-11)12-14-8-6-13-7-9-15-12/h2-5,13H,6-9H2,1H3
• InChIKey: NIHZKOVNUAYDRG-UHFFFAOYSA-N

Properties

• Density: 1.133g/cm³ (Cal.)
• Boiling point: 395.332°C at 760 mmHg (Cal.)
• Flash point: 192.89°C (Cal.)