Found 737 results

Search term: MF = 'C_{12}H_{18}N_{2}S_{2}'
ChemSpider 2D Image | N-[2-(2-Pyridinyl)ethyl]-1,4-dithiepan-6-amine | C12H18N2S2

N-[2-(2-Pyridinyl)ethyl]-1,4-dithiepan-6-amine

  • Molecular FormulaC12H18N2S2
  • Average mass254.415 Da
  • Monoisotopic mass254.091141 Da
  • ChemSpider ID67982795

More details:

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

2-Pyridineethanamine, N-1,4-dithiepan-6-yl- [ACD/Index Name]
N-[2-(2-Pyridinyl)ethyl]-1,4-dithiepan-6-amin [German] [ACD/IUPAC Name]
N-[2-(2-Pyridinyl)ethyl]-1,4-dithiepan-6-amine [ACD/IUPAC Name]
N-[2-(2-Pyridinyl)éthyl]-1,4-dithiépan-6-amine [French] [ACD/IUPAC Name]
1,4-dithiepan-6-yl(2-pyridin-2-ylethyl)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: 421.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 208.8±28.7 °C
Index of Refraction: 1.608
Molar Refractivity: 74.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 3.08
ACD/KOC (pH 7.4): 47.16
Polar Surface Area: 76 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 215.6±5.0 cm3

Click to predict properties on the Chemicalize site


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