ChemSpider 2D Image | 1,4-Thiazepane-3-thione | C5H9NS2

1,4-Thiazepane-3-thione

  • Molecular FormulaC5H9NS2
  • Average mass147.262 Da
  • Monoisotopic mass147.017639 Da
  • ChemSpider ID32990606

More details:






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

1,4-Thiazepan-3-thion [German] [ACD/IUPAC Name]
1,4-Thiazepane-3-thione [ACD/IUPAC Name]
1,4-Thiazépane-3-thione [French] [ACD/IUPAC Name]
1,4-Thiazepine-3(2H)-thione, tetrahydro- [ACD/Index Name]
179684-03-8 [RN]
MFCD19225873

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

Density: 1.2±0.1 g/cm3
Boiling Point: 250.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.8±3.0 kJ/mol
Flash Point: 105.4±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 41.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 44.60
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 44.60
Polar Surface Area: 69 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 119.7±5.0 cm3

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