ChemSpider 2D Image | N-Methyl-N-(3-sulfanylpropyl)ethanethioamide | C6H13NS2

N-Methyl-N-(3-sulfanylpropyl)ethanethioamide

  • Molecular FormulaC6H13NS2
  • Average mass163.304 Da
  • Monoisotopic mass163.048935 Da
  • ChemSpider ID24218993

More details:

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

Ethanethioamide, N-(3-mercaptopropyl)-N-methyl- [ACD/Index Name]
N-Methyl-N-(3-sulfanylpropyl)ethanethioamide [ACD/IUPAC Name]
N-Méthyl-N-(3-sulfanylpropyl)éthanethioamide [French] [ACD/IUPAC Name]
N-Methyl-N-(3-sulfanylpropyl)ethanthioamid [German] [ACD/IUPAC Name]
82125-88-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 226.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.3±3.0 kJ/mol
Flash Point: 90.9±27.9 °C
Index of Refraction: 1.546
Molar Refractivity: 48.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.30
ACD/KOC (pH 5.5): 129.92
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.28
ACD/KOC (pH 7.4): 129.64
Polar Surface Area: 74 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 153.9±3.0 cm3

Click to predict properties on the Chemicalize site


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