ChemSpider 2D Image | 2-{[(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl]sulfanyl}nicotinic acid | C11H9NO5S

2-{[(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl]sulfanyl}nicotinic acid

  • Molecular FormulaC11H9NO5S
  • Average mass267.258 Da
  • Monoisotopic mass267.020142 Da
  • ChemSpider ID24756185

More details:

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

2-{[(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl]sulfanyl}nicotinic acid [ACD/IUPAC Name]
2-{[(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl]sulfanyl}nicotinsäure [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]thio]- [ACD/Index Name]
Acide 2-{[(5-méthyl-2-oxo-1,3-dioxol-4-yl)méthyl]sulfanyl}nicotinique [French] [ACD/IUPAC Name]
2-(5-Methyl-2-oxo-[1,3]dioxol-4-ylmethylsulfanyl)-nicotinic acid
2-[(5-methyl-2-oxo-1,3-dioxolen-4-yl)methylthio]pyridine-3-carboxylic acid
2-{[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]thio}nicotinic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 427.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 212.6±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 63.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 173.5±5.0 cm3

Click to predict properties on the Chemicalize site


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