ChemSpider 2D Image | 2-{[(3-Cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}benzoate | C16H13N2O2S

2-{[(3-Cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}benzoate

  • Molecular FormulaC16H13N2O2S
  • Average mass297.352 Da
  • Monoisotopic mass297.070313 Da
  • ChemSpider ID21205447

  • Charge - Charge

More details:

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

2-{[(3-Cyan-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}benzoat [German] [ACD/IUPAC Name]
2-{[(3-Cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}benzoate [ACD/IUPAC Name]
2-{[(3-Cyano-4,6-diméthyl-2-pyridinyl)sulfanyl]méthyl}benzoate [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 507.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 260.6±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 14.35
ACD/KOC (pH 5.5): 73.78
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.95
Polar Surface Area: 102 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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