ChemSpider 2D Image | 2-[(3,4-Dimethylphenyl)sulfanyl]-N-[(5-methyl-2-thienyl)methyl]ethanamine | C16H21NS2

2-[(3,4-Dimethylphenyl)sulfanyl]-N-[(5-methyl-2-thienyl)methyl]ethanamine

  • Molecular FormulaC16H21NS2
  • Average mass291.475 Da
  • Monoisotopic mass291.111542 Da
  • ChemSpider ID32852112

More details:

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

2-[(3,4-Dimethylphenyl)sulfanyl]-N-[(5-methyl-2-thienyl)methyl]ethanamin [German] [ACD/IUPAC Name]
2-[(3,4-Dimethylphenyl)sulfanyl]-N-[(5-methyl-2-thienyl)methyl]ethanamine [ACD/IUPAC Name]
2-[(3,4-Diméthylphényl)sulfanyl]-N-[(5-méthyl-2-thiényl)méthyl]éthanamine [French] [ACD/IUPAC Name]
2-Thiophenemethanamine, N-[2-[(3,4-dimethylphenyl)thio]ethyl]-5-methyl- [ACD/Index Name]
{2-[(3,4-dimethylphenyl)sulfanyl]ethyl}[(5-methylthiophen-2-yl)methyl]amine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 415.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 204.9±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 8.27
ACD/KOC (pH 5.5): 30.62
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 415.94
ACD/KOC (pH 7.4): 1541.05
Polar Surface Area: 66 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 259.0±5.0 cm3

Click to predict properties on the Chemicalize site


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