ChemSpider 2D Image | 3-[(2E)-3-Chloro-2-buten-1-yl]-2-methyl-4(1H)-quinolinethione | C14H14ClNS

3-[(2E)-3-Chloro-2-buten-1-yl]-2-methyl-4(1H)-quinolinethione

  • Molecular FormulaC14H14ClNS
  • Average mass263.786 Da
  • Monoisotopic mass263.053558 Da
  • ChemSpider ID95696077

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(2E)-3-Chlor-2-buten-1-yl]-2-methyl-4(1H)-chinolinthion [German] [ACD/IUPAC Name]
3-[(2E)-3-Chloro-2-butén-1-yl]-2-méthyl-4(1H)-quinoléinethione [French] [ACD/IUPAC Name]
3-[(2E)-3-Chloro-2-buten-1-yl]-2-methyl-4(1H)-quinolinethione [ACD/IUPAC Name]
4(1H)-Quinolinethione, 3-[(2E)-3-chloro-2-buten-1-yl]-2-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 369.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 177.0±30.7 °C
Index of Refraction: 1.638
Molar Refractivity: 76.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 860.06
ACD/KOC (pH 5.5): 4386.69
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 860.07
ACD/KOC (pH 7.4): 4386.73
Polar Surface Area: 44 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 212.9±5.0 cm3

Click to predict properties on the Chemicalize site


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