ChemSpider 2D Image | 1-(1,1-Dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-3-(3-nitrophenyl)urea | C14H10N4O6S

1-(1,1-Dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-3-(3-nitrophenyl)urea

  • Molecular FormulaC14H10N4O6S
  • Average mass362.317 Da
  • Monoisotopic mass362.032104 Da
  • ChemSpider ID28525342

More details:

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

1-(1,1-Dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-3-(3-nitrophenyl)harnstoff [German] [ACD/IUPAC Name]
1-(1,1-Dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-3-(3-nitrophenyl)urea [ACD/IUPAC Name]
1-(3-Nitrophényl)-3-(3-oxo-1,1-dioxydo-2,3-dihydro-1,2-benzothiazol-6-yl)urée [French] [ACD/IUPAC Name]
Urea, N-(2,3-dihydro-1,1-dioxido-3-oxo-1,2-benzisothiazol-6-yl)-N'-(3-nitrophenyl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.741
Molar Refractivity: 84.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.52
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 159 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 95.6±3.0 dyne/cm
Molar Volume: 209.9±3.0 cm3

Click to predict properties on the Chemicalize site


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