ChemSpider 2D Image | N-[4-(Ethylsulfanyl)-2-butanyl]-3-thietanamine | C9H19NS2

N-[4-(Ethylsulfanyl)-2-butanyl]-3-thietanamine

  • Molecular FormulaC9H19NS2
  • Average mass205.384 Da
  • Monoisotopic mass205.095886 Da
  • ChemSpider ID71044568

More details:

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

3-Thietanamine, N-[3-(ethylthio)-1-methylpropyl]- [ACD/Index Name]
N-[4-(Ethylsulfanyl)-2-butanyl]-3-thietanamin [German] [ACD/IUPAC Name]
N-[4-(Ethylsulfanyl)-2-butanyl]-3-thietanamine [ACD/IUPAC Name]
N-[4-(Éthylsulfanyl)-2-butanyl]-3-thiétanamine [French] [ACD/IUPAC Name]
1856797-18-6 [RN]
N-(4-(Ethylthio)butan-2-yl)thietan-3-amine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 319.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 147.0±26.5 °C
Index of Refraction: 1.538
Molar Refractivity: 61.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 3.05
ACD/KOC (pH 7.4): 37.22
Polar Surface Area: 63 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 39.1±5.0 dyne/cm
Molar Volume: 195.9±5.0 cm3

Click to predict properties on the Chemicalize site


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