ChemSpider 2D Image | (4R)-4-Phenyl-1,3-dithiolane-2-thione | C9H8S3

(4R)-4-Phenyl-1,3-dithiolane-2-thione

  • Molecular FormulaC9H8S3
  • Average mass212.355 Da
  • Monoisotopic mass211.978806 Da
  • ChemSpider ID30659268

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-Phenyl-1,3-dithiolan-2-thion [German] [ACD/IUPAC Name]
(4R)-4-Phenyl-1,3-dithiolane-2-thione [ACD/IUPAC Name]
(4R)-4-Phényl-1,3-dithiolane-2-thione [French] [ACD/IUPAC Name]
1,3-Dithiolane-2-thione, 4-phenyl-, (4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 406.8±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 199.8±25.7 °C
Index of Refraction: 1.730
Molar Refractivity: 61.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.54
ACD/KOC (pH 5.5): 1229.89
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.54
ACD/KOC (pH 7.4): 1229.89
Polar Surface Area: 83 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 154.6±5.0 cm3

Click to predict properties on the Chemicalize site


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