ChemSpider 2D Image | 5-Sulfanylnicotinic acid | C6H5NO2S

5-Sulfanylnicotinic acid

  • Molecular FormulaC6H5NO2S
  • Average mass155.174 Da
  • Monoisotopic mass155.004105 Da
  • ChemSpider ID21541167

More details:

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

24242-21-5 [RN]
3-Pyridinecarboxylic acid, 5-mercapto- [ACD/Index Name]
5-Mercapto-3-pyridinecarboxylic acid
5-Mercaptopyridine-3-carboxylic acid
5-Sulfanylnicotinic acid [ACD/IUPAC Name]
5-Sulfanylnicotinsäure [German] [ACD/IUPAC Name]
Acide 5-sulfanylnicotinique [French] [ACD/IUPAC Name]
5-mercaptonicotinic acid
5-Mercaptopyridine-3-carboxylicacid
5-SULFANYLPYRIDINE-3-CARBOXYLIC ACID
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 365.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 174.6±23.7 °C
Index of Refraction: 1.653
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 70.2±3.0 dyne/cm
Molar Volume: 107.8±3.0 cm3

Click to predict properties on the Chemicalize site


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