ChemSpider 2D Image | 5-[Methyl(methylsulfonyl)amino]isophthalic acid | C10H11NO6S

5-[Methyl(methylsulfonyl)amino]isophthalic acid

  • Molecular FormulaC10H11NO6S
  • Average mass273.262 Da
  • Monoisotopic mass273.030701 Da
  • ChemSpider ID28572285

More details:






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

1,3-Benzenedicarboxylic acid, 5-[methyl(methylsulfonyl)amino]- [ACD/Index Name]
5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
5-[Methyl(methylsulfonyl)amino]isophthalic acid [ACD/IUPAC Name]
5-[Methyl(methylsulfonyl)amino]isophthalsäure [German] [ACD/IUPAC Name]
Acide 5-[méthyl(méthylsulfonyl)amino]isophtalique [French] [ACD/IUPAC Name]
5-[(Methanesulfonyl)(methyl)amino]benzene-1,3-dicarboxylic acid
913626-11-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 566.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.6±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 61.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 78.7±3.0 dyne/cm
Molar Volume: 173.5±3.0 cm3

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