2-(2-Propyn-1-Yl)-1,2-Benzothiazol-3(2H)-One 1,1-Dioxide
[CAS# 41335-57-3]

Identification

• Name: 2-(2-Propyn-1-Yl)-1,2-Benzothiazol-3(2H)-One 1,1-Dioxide
• Synonyms: 1,1-Dioxo-2-prop-2-ynyl-1,2-dihydro-1λ*6*-benzo[d]isothiazol-3-one; 1,2-Benzisothiazol-3(2H)-one, 2-(2-propynyl)-, 1,1-dioxide; 2-(2-propynyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
• Molecular Formula: C₁₀H₇NO₃S
• Molecular Weight: 221.23
• CAS Registry Number: 41335-57-3
• EINECS: 255-323-1
• SMILES: O=C2c1ccccc1S(=O)(=O)N2CC#C
• InChI: 1S/C10H7NO3S/c1-2-7-11-10(12)8-5-3-4-6-9(8)15(11,13)14/h1,3-6H,7H2
• InChIKey: BEJGLFVJZIJLDQ-UHFFFAOYSA-N

Properties

• Density: 1.47g/cm³ (Cal.)
• Boiling point: 397.39°C at 760 mmHg (Cal.)
• Flash point: 194.135°C (Cal.)