Cas no 127872-18-8 (1,2-Benzisothiazol-3(2H)-one, 2-(1,1-dimethylethyl)-, 1,1-dioxide)

1,2-Benzisothiazol-3(2H)-one, 2-(1,1-dimethylethyl)-, 1,1-dioxide structure
127872-18-8 structure
Product Name:1,2-Benzisothiazol-3(2H)-one, 2-(1,1-dimethylethyl)-, 1,1-dioxide
CAS No:127872-18-8
MF:C11H13NO3S
MW:239.290821790695
CID:6642547
Update Time:2024-01-29

1,2-Benzisothiazol-3(2H)-one, 2-(1,1-dimethylethyl)-, 1,1-dioxide Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisothiazol-3(2H)-one, 2-(1,1-dimethylethyl)-, 1,1-dioxide
    • Inchi: 1S/C11H13NO3S/c1-11(2,3)12-10(13)8-6-4-5-7-9(8)16(12,14)15/h4-7H,1-3H3
    • InChI Key: WZYORHHTJZYQQP-UHFFFAOYSA-N
    • SMILES: S1(=O)(=O)C2=C(C=CC=C2)C(=O)N1C(C)(C)C

Experimental Properties

  • Density: 1.337±0.06 g/cm3(Predicted)
  • Melting Point: 99-100 °C(Solv: dichloromethane (75-09-2))
  • Boiling Point: 376.2±25.0 °C(Predicted)
  • pka: -12.74±0.20(Predicted)
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