ChemSpider 2D Image | 2-(1,2,5-Dithiazepan-5-yl)ethanethiol | C6H13NS3

2-(1,2,5-Dithiazepan-5-yl)ethanethiol

  • Molecular FormulaC6H13NS3
  • Average mass195.369 Da
  • Monoisotopic mass195.021011 Da
  • ChemSpider ID61305020

More details:

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

2-(1,2,5-Dithiazepan-5-yl)ethanethiol [ACD/IUPAC Name]
2-(1,2,5-Dithiazépan-5-yl)éthanethiol [French] [ACD/IUPAC Name]
2-(1,2,5-Dithiazepan-5-yl)ethanthiol [German] [ACD/IUPAC Name]
5H-1,2,5-Dithiazepine-5-ethanethiol, tetrahydro- [ACD/Index Name]
98354-41-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 298.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 134.5±27.3 °C
Index of Refraction: 1.585
Molar Refractivity: 55.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 19.79
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 24.29
ACD/KOC (pH 7.4): 320.06
Polar Surface Area: 93 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 165.8±3.0 cm3

Click to predict properties on the Chemicalize site


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