2-(Furan-3-Carbonyl)-1,1-Dioxo-1,2-Benzothiazol-3-One
[CAS# 79642-61-8]

Identification

• Name: 2-(Furan-3-Carbonyl)-1,1-Dioxo-1,2-Benzothiazol-3-One
• Synonyms: 2-(3-Furyl-Oxomethyl)-1,1-Dioxo-1,2-Benzothiazol-3-One; 2-(Furan-3-Carbonyl)-1,1-Diketo-1,2-Benzothiazol-3-One; 2-Furan-3-Ylcarbonyl-1,1-Dioxo-1,2-Benzothiazol-3-One
• Molecular Formula: C₁₂H₇NO₅S
• Molecular Weight: 277.25
• CAS Registry Number: 79642-61-8
• SMILES: C1=CC=CC2=C1[S](N(C2=O)C(C3=COC=C3)=O)(=O)=O
• InChI: 1S/C12H7NO5S/c14-11(8-5-6-18-7-8)13-12(15)9-3-1-2-4-10(9)19(13,16)17/h1-7H
• InChIKey: VMKAVSBKFBAXTD-UHFFFAOYSA-N

Properties

• Density: 1.608g/cm³ (Cal.)
• Boiling point: 473.779°C at 760 mmHg (Cal.)
• Flash point: 240.333°C (Cal.)