ChemSpider 2D Image | 2-({[(4-Fluorophenyl)sulfonyl]carbamothioyl}amino)-4,5-dimethoxybenzoic acid | C16H15FN2O6S2

2-({[(4-Fluorophenyl)sulfonyl]carbamothioyl}amino)-4,5-dimethoxybenzoic acid

  • Molecular FormulaC16H15FN2O6S2
  • Average mass414.428 Da
  • Monoisotopic mass414.035553 Da
  • ChemSpider ID66451905

More details:

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

2-({[(4-Fluorophenyl)sulfonyl]carbamothioyl}amino)-4,5-dimethoxybenzoic acid [ACD/IUPAC Name]
2-({[(4-Fluorphenyl)sulfonyl]carbamothioyl}amino)-4,5-dimethoxybenzoesäure [German] [ACD/IUPAC Name]
Acide 2-({[(4-fluorophényl)sulfonyl]carbamothioyl}amino)-4,5-diméthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[[(4-fluorophenyl)sulfonyl]amino]thioxomethyl]amino]-4,5-dimethoxy- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 558.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 291.6±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 273.6±3.0 cm3

Click to predict properties on the Chemicalize site


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