ChemSpider 2D Image | N,2,2-Trimethyl-N-(2-phenylethyl)propanethioamide | C14H21NS

N,2,2-Trimethyl-N-(2-phenylethyl)propanethioamide

  • Molecular FormulaC14H21NS
  • Average mass235.388 Da
  • Monoisotopic mass235.139465 Da
  • ChemSpider ID24219422

More details:

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

N,2,2-Trimethyl-N-(2-phenylethyl)propanethioamide [ACD/IUPAC Name]
N,2,2-Triméthyl-N-(2-phényléthyl)propanethioamide [French] [ACD/IUPAC Name]
N,2,2-Trimethyl-N-(2-phenylethyl)propanthioamid [German] [ACD/IUPAC Name]
Propanethioamide, N,2,2-trimethyl-N-(2-phenylethyl)- [ACD/Index Name]
58832-26-1 [RN]
N,2,2-trimethyl-N-phenethylpropanethioamide
PROPANETHIOAMIDE,N,2,2-TRIMETHYL-N-(2-PHENYLETHYL)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 323.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.6±3.0 kJ/mol
Flash Point: 149.5±25.9 °C
Index of Refraction: 1.551
Molar Refractivity: 74.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 334.53
ACD/KOC (pH 5.5): 2231.39
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 334.57
ACD/KOC (pH 7.4): 2231.69
Polar Surface Area: 35 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 233.6±3.0 cm3

Click to predict properties on the Chemicalize site


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