ChemSpider 2D Image | Methyl 2-chloro-5-({[2-(ethylsulfanyl)ethyl]sulfanyl}methyl)nicotinate | C12H16ClNO2S2

Methyl 2-chloro-5-({[2-(ethylsulfanyl)ethyl]sulfanyl}methyl)nicotinate

  • Molecular FormulaC12H16ClNO2S2
  • Average mass305.844 Da
  • Monoisotopic mass305.031097 Da
  • ChemSpider ID65036147

More details:

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

2-Chloro-5-({[2-(éthylsulfanyl)éthyl]sulfanyl}méthyl)nicotinate de méthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-chloro-5-[[[2-(ethylthio)ethyl]thio]methyl]-, methyl ester [ACD/Index Name]
Methyl 2-chloro-5-({[2-(ethylsulfanyl)ethyl]sulfanyl}methyl)nicotinate [ACD/IUPAC Name]
Methyl-2-chlor-5-({[2-(ethylsulfanyl)ethyl]sulfanyl}methyl)nicotinat [German] [ACD/IUPAC Name]
2094856-10-5 [RN]
methyl 2-chloro-5-({[2-(ethylsulfanyl)ethyl]sulfanyl}methyl)pyridine-3-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 440.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 220.2±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 80.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 400.35
ACD/KOC (pH 5.5): 2537.63
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 400.35
ACD/KOC (pH 7.4): 2537.63
Polar Surface Area: 90 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 242.8±3.0 cm3

Click to predict properties on the Chemicalize site


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