ChemSpider 2D Image | N-[2-(Methyldisulfanyl)ethyl]-3-thietanamine | C6H13NS3

N-[2-(Methyldisulfanyl)ethyl]-3-thietanamine

  • Molecular FormulaC6H13NS3
  • Average mass195.369 Da
  • Monoisotopic mass195.021011 Da
  • ChemSpider ID61149291

More details:

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

3-Thietanamine, N-[2-(methyldithio)ethyl]- [ACD/Index Name]
N-[2-(Methyldisulfanyl)ethyl]-3-thietanamin [German] [ACD/IUPAC Name]
N-[2-(Methyldisulfanyl)ethyl]-3-thietanamine [ACD/IUPAC Name]
N-[2-(Méthyldisulfanyl)éthyl]-3-thiétanamine [French] [ACD/IUPAC Name]
1849389-68-9 [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: 316.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 145.0±26.5 °C
Index of Refraction: 1.610
Molar Refractivity: 55.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.01
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 6.51
ACD/KOC (pH 7.4): 96.24
Polar Surface Area: 88 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 160.0±5.0 cm3

Click to predict properties on the Chemicalize site


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