2-Allyl-1,2-Benzisothiazol-3(2H)-One 1,1-Dioxide
[CAS# 41335-56-2]

Identification

• Name: 2-Allyl-1,2-Benzisothiazol-3(2H)-One 1,1-Dioxide
• Synonyms: 2-Allyl-1,1-Dioxo-1,2-Benzothiazol-3-One; 2-Allyl-1,1-Diketo-1,2-Benzothiazol-3-One; Nsc39122
• Molecular Formula: C₁₀H₉NO₃S
• Molecular Weight: 223.25
• CAS Registry Number: 41335-56-2
• EINECS: 255-322-6
• SMILES: C1=C2C(=CC=C1)[S](N(C2=O)CC=C)(=O)=O
• InChI: 1S/C10H9NO3S/c1-2-7-11-10(12)8-5-3-4-6-9(8)15(11,13)14/h2-6H,1,7H2
• InChIKey: PCEMJUSXPJQKDP-UHFFFAOYSA-N

Properties

• Density: 1.38g/cm³ (Cal.)
• Boiling point: 386.46°C at 760 mmHg (Cal.)
• Flash point: 187.525°C (Cal.)

References

• (1): Muhammad Nadeem Arshad, Hafiz Mubashar-ur-Rehman, Muhammad Zia-ur-Rehman, Islam Ullah Khan and Muhammad Shafiq . 2-(Prop-2-enyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide , Acta Cryst (2009). E65, o1236Â Â