ChemSpider 2D Image | 1,3-Benzodithiol-2-imine | C7H5NS2

1,3-Benzodithiol-2-imine

  • Molecular FormulaC7H5NS2
  • Average mass167.251 Da
  • Monoisotopic mass166.986343 Da
  • ChemSpider ID62901807

More details:






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

1,3-Benzodithiol-2-imin [German] [ACD/IUPAC Name]
1,3-Benzodithiol-2-imine [ACD/Index Name] [ACD/IUPAC Name]
1,3-Benzodithiol-2-imine [French] [ACD/Index Name] [ACD/IUPAC Name]
4386-48-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 302.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.1±3.0 kJ/mol
Flash Point: 137.0±23.2 °C
Index of Refraction: 1.769
Molar Refractivity: 47.2±0.5 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.72
ACD/KOC (pH 5.5): 467.62
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.78
ACD/KOC (pH 7.4): 468.37
Polar Surface Area: 74 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 113.8±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement