ChemSpider 2D Image | 3-Chloro-2-[(2-chloroethyl)sulfanyl]-2-methylpropanenitrile | C6H9Cl2NS

3-Chloro-2-[(2-chloroethyl)sulfanyl]-2-methylpropanenitrile

  • Molecular FormulaC6H9Cl2NS
  • Average mass198.113 Da
  • Monoisotopic mass196.983276 Da
  • ChemSpider ID60605833

More details:

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

3-Chlor-2-[(2-chlorethyl)sulfanyl]-2-methylpropannitril [German] [ACD/IUPAC Name]
3-Chloro-2-[(2-chloroethyl)sulfanyl]-2-methylpropanenitrile [ACD/IUPAC Name]
3-Chloro-2-[(2-chloroéthyl)sulfanyl]-2-méthylpropanenitrile [French] [ACD/IUPAC Name]
Propanenitrile, 3-chloro-2-[(2-chloroethyl)thio]-2-methyl- [ACD/Index Name]
32766-24-8 [RN]
MFCD20630757

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

Density: 1.3±0.1 g/cm3
Boiling Point: 301.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.1±3.0 kJ/mol
Flash Point: 135.9±25.1 °C
Index of Refraction: 1.513
Molar Refractivity: 47.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.58
ACD/KOC (pH 5.5): 402.57
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.58
ACD/KOC (pH 7.4): 402.57
Polar Surface Area: 49 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 157.7±3.0 cm3

Click to predict properties on the Chemicalize site


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