Molecular Structure of 1,2-Benzisothiazol-3-amine 1,1-dioxide (CAS No.7668-28-2):
Molecular Formula: C7H6N2O2S
Molecular Weight: 182.1997
IUPAC Name: 1,1-Dioxo-1,2-benzothiazol-3-amine
CAS No: 7668-28-2
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 58.12 Å2
Index of Refraction: 1.741
Molar Refractivity: 44.42 cm3
Molar Volume: 109.9 cm3
Surface Tension: 74.5 dyne/cm
Density: 1.65 g/cm3
Flash Point: 204.1 °C
Enthalpy of Vaporization: 66.67 kJ/mol
Boiling Point: 413.8 °C at 760 mmHg
Vapour Pressure: 4.66E-07 mmHg at 25°C
InChI: InChI=1/C7H6N2O2S/c8-7-5-3-1-2-4-6(5)12(10,11)9-7/h1-4H,(H2,8,9)
InChIKey: QNOQSOJREDRYBC-UHFFFAOYAX
Std. InChI: InChI=1S/C7H6N2O2S/c8-7-5-3-1-2-4-6(5)12(10,11)9-7/h1-4H,(H2,8,9)
Std. InChIKey: QNOQSOJREDRYBC-UHFFFAOYSA-N
1,2-Benzisothiazol-3-amine 1,1-dioxide (CAS No.7668-28-2), it also can be called 3-Iminosaccharin ; 1,2-Benzisothiazol-3-amine, 1,1-dioxide (9CI) ; 1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-ylamine .
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