ChemSpider 2D Image | N-(2-Propyn-1-yl)-N-(tetrahydro-3-thiophenylmethyl)-3-thietanamine | C11H17NS2

N-(2-Propyn-1-yl)-N-(tetrahydro-3-thiophenylmethyl)-3-thietanamine

  • Molecular FormulaC11H17NS2
  • Average mass227.389 Da
  • Monoisotopic mass227.080246 Da
  • ChemSpider ID64968621

More details:

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

3-Thiophenemethanamine, tetrahydro-N-2-propyn-1-yl-N-3-thietanyl- [ACD/Index Name]
N-(2-Propin-1-yl)-N-(tetrahydro-3-thiophenylmethyl)-3-thietanamin [German] [ACD/IUPAC Name]
N-(2-Propyn-1-yl)-N-(tetrahydro-3-thiophenylmethyl)-3-thietanamine [ACD/IUPAC Name]
N-(2-Propyn-1-yl)-N-(tétrahydro-3-thiophénylméthyl)-3-thiétanamine [French] [ACD/IUPAC Name]
2094351-13-8 [RN]
N-(prop-2-yn-1-yl)-N-[(thiolan-3-yl)methyl]thietan-3-amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 377.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 182.3±25.1 °C
Index of Refraction: 1.603
Molar Refractivity: 66.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 24.66
ACD/KOC (pH 5.5): 313.33
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.50
ACD/KOC (pH 7.4): 438.25
Polar Surface Area: 54 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 193.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement