ChemSpider 2D Image | 4-(Mercaptomethyl)-2,6-pyridinedicarboxylic acid | C8H7NO4S

4-(Mercaptomethyl)-2,6-pyridinedicarboxylic acid

  • Molecular FormulaC8H7NO4S
  • Average mass213.210 Da
  • Monoisotopic mass213.009583 Da
  • ChemSpider ID35466615

More details:






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

1040401-18-0 [RN]
2,6-Pyridinedicarboxylic acid, 4-(mercaptomethyl)- [ACD/Index Name]
4-(Mercaptomethyl)-2,6-pyridinedicarboxylic acid
4-(Sulfanylmethyl)-2,6-pyridindicarbonsäure [German] [ACD/IUPAC Name]
4-(Sulfanylmethyl)-2,6-pyridinedicarboxylic acid [ACD/IUPAC Name]
Acide 4-(sulfanylméthyl)-2,6-pyridinedicarboxylique [French] [ACD/IUPAC Name]
4-(Mercaptomethyl)pyridine-2,6-dicarboxylic acid
4-(sulfanylmethyl)pyridine-2,6-dicarboxylic acid
4-Mercaptomethyl Dipicolinic Acid
MFCD16293855

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

Density: 1.5±0.1 g/cm3
Boiling Point: 542.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 282.1±30.1 °C
Index of Refraction: 1.661
Molar Refractivity: 51.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 81.1±3.0 dyne/cm
Molar Volume: 138.1±3.0 cm3

Click to predict properties on the Chemicalize site






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