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Search term: FWCXWZVBMRXRIF (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-[(2-Methyltetrahydro-2-furanyl)methyl]-1,4-dithiepan-6-amine | C11H21NOS2

N-[(2-Methyltetrahydro-2-furanyl)methyl]-1,4-dithiepan-6-amine

  • Molecular FormulaC11H21NOS2
  • Average mass247.421 Da
  • Monoisotopic mass247.106461 Da
  • ChemSpider ID62703354

More details:






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

1,4-Dithiepan-6-amine, N-[(tetrahydro-2-methyl-2-furanyl)methyl]- [ACD/Index Name]
N-[(2-Methyltetrahydro-2-furanyl)methyl]-1,4-dithiepan-6-amin [German] [ACD/IUPAC Name]
N-[(2-Methyltetrahydro-2-furanyl)methyl]-1,4-dithiepan-6-amine [ACD/IUPAC Name]
N-[(2-Méthyltétrahydro-2-furanyl)méthyl]-1,4-dithiépan-6-amine [French] [ACD/IUPAC Name]
1,4-dithiepan-6-yl[(2-methyltetrahydrofuran-2-yl)methyl]amine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 380.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 184.1±27.9 °C
Index of Refraction: 1.564
Molar Refractivity: 70.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 5.60
ACD/KOC (pH 7.4): 86.33
Polar Surface Area: 72 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 216.0±5.0 cm3

Click to predict properties on the Chemicalize site






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