ChemSpider 2D Image | 2-(Methylsulfanyl)-3-(3-thietanylamino)-1-butanol | C8H17NOS2

2-(Methylsulfanyl)-3-(3-thietanylamino)-1-butanol

  • Molecular FormulaC8H17NOS2
  • Average mass207.357 Da
  • Monoisotopic mass207.075150 Da
  • ChemSpider ID71047027

More details:

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

1-Butanol, 2-(methylthio)-3-(3-thietanylamino)- [ACD/Index Name]
2-(Methylsulfanyl)-3-(3-thietanylamino)-1-butanol [German] [ACD/IUPAC Name]
2-(Methylsulfanyl)-3-(3-thietanylamino)-1-butanol [ACD/IUPAC Name]
2-(Méthylsulfanyl)-3-(3-thiétanylamino)-1-butanol [French] [ACD/IUPAC Name]
1862372-30-2 [RN]
2-(Methylthio)-3-(thietan-3-ylamino)butan-1-ol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 372.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.7±6.0 kJ/mol
Flash Point: 178.9±27.9 °C
Index of Refraction: 1.569
Molar Refractivity: 58.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 40.15
Polar Surface Area: 83 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 177.7±5.0 cm3

Click to predict properties on the Chemicalize site


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