ChemSpider 2D Image | N-[4-(Methylsulfanyl)-2-butanyl]-3-thietanamine | C8H17NS2

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

  • Molecular FormulaC8H17NS2
  • Average mass191.357 Da
  • Monoisotopic mass191.080246 Da
  • ChemSpider ID71046566

More details:

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

3-Thietanamine, N-[1-methyl-3-(methylthio)propyl]- [ACD/Index Name]
N-[4-(Methylsulfanyl)-2-butanyl]-3-thietanamin [German] [ACD/IUPAC Name]
N-[4-(Methylsulfanyl)-2-butanyl]-3-thietanamine [ACD/IUPAC Name]
N-[4-(Méthylsulfanyl)-2-butanyl]-3-thiétanamine [French] [ACD/IUPAC Name]
1850753-02-4 [RN]
N-(4-(Methylthio)butan-2-yl)thietan-3-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: 304.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.4±3.0 kJ/mol
Flash Point: 137.7±26.5 °C
Index of Refraction: 1.544
Molar Refractivity: 56.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 23.44
Polar Surface Area: 63 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 179.5±5.0 cm3

Click to predict properties on the Chemicalize site


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