ChemSpider 2D Image | 5-thio-2-nitro-benzoic acid | C7H5NO4S

5-thio-2-nitro-benzoic acid

  • Molecular FormulaC7H5NO4S
  • Average mass199.184 Da
  • Monoisotopic mass198.993927 Da
  • ChemSpider ID24773396

More details:






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

1,5-Cyclohexadiene-1-carboxylic acid, 6-nitro-3-thioxo- [ACD/Index Name]
5-thio-2-nitro-benzoic acid
6-Nitro-3-thioxo-1,5-cyclohexadien-1-carbonsäure [German] [ACD/IUPAC Name]
6-Nitro-3-thioxo-1,5-cyclohexadiene-1-carboxylic acid [ACD/IUPAC Name]
Acide 6-nitro-3-thioxo-1,5-cyclohexadiène-1-carboxylique [French] [ACD/IUPAC Name]
5-thio-(2-nitrobenzoic acid)
5-thio-2-nitrobenzoic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 318.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.6±6.0 kJ/mol
Flash Point: 146.4±30.7 °C
Index of Refraction: 1.670
Molar Refractivity: 46.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -2.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 83.0±5.0 dyne/cm
Molar Volume: 124.6±5.0 cm3

Click to predict properties on the Chemicalize site






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