ChemSpider 2D Image | 4-{(2Z)-2-[1-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-propanylidene]hydrazino}-3-nitrobenzenesulfonamide | C16H15N5O7S2

4-{(2Z)-2-[1-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-propanylidene]hydrazino}-3-nitrobenzenesulfonamide

  • Molecular FormulaC16H15N5O7S2
  • Average mass453.450 Da
  • Monoisotopic mass453.041290 Da
  • ChemSpider ID30551983

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Nitro-4-{(2Z)-2-[1-(3-oxo-1,1-dioxydo-1,2-benzothiazol-2(3H)-yl)-2-propanylidène]hydrazino}benzènesulfonamide [French] [ACD/IUPAC Name]
4-{(2Z)-2-[1-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-propanyliden]hydrazino}-3-nitrobenzolsulfonamid [German] [ACD/IUPAC Name]
4-{(2Z)-2-[1-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-propanylidene]hydrazino}-3-nitrobenzenesulfonamide [ACD/IUPAC Name]
Benzenesulfonamide, 4-[(2Z)-2-[2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-1-methylethylidene]hydrazinyl]-3-nitro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 708.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.1±35.7 °C
Index of Refraction: 1.741
Molar Refractivity: 106.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.46
ACD/KOC (pH 5.5): 132.28
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.43
ACD/KOC (pH 7.4): 131.65
Polar Surface Area: 202 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 82.2±7.0 dyne/cm
Molar Volume: 263.8±7.0 cm3

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