ChemSpider 2D Image | 1,3-Dithiepin | C5H6S2

1,3-Dithiepin

  • Molecular FormulaC5H6S2
  • Average mass130.231 Da
  • Monoisotopic mass129.991089 Da
  • ChemSpider ID31046274

More details:

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

1,3-Dithiepin [German] [ACD/Index Name] [ACD/IUPAC Name]
1,3-Dithiepin [ACD/Index Name] [ACD/IUPAC Name]
1,3-Dithiepine [ACD/IUPAC Name]
1,3-Dithiépine [French] [ACD/IUPAC Name]
291-98-5 [RN]
Dothiepin [BAN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 245.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.3±3.0 kJ/mol
Flash Point: 114.7±18.8 °C
Index of Refraction: 1.621
Molar Refractivity: 38.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.85
ACD/KOC (pH 5.5): 395.67
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.85
ACD/KOC (pH 7.4): 395.67
Polar Surface Area: 51 Å2
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 109.7±3.0 cm3

Click to predict properties on the Chemicalize site


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