ChemSpider 2D Image | N-{1-[4-(Methylsulfanyl)phenyl]-2-butanyl}formamide | C12H17NOS

N-{1-[4-(Methylsulfanyl)phenyl]-2-butanyl}formamide

  • Molecular FormulaC12H17NOS
  • Average mass223.335 Da
  • Monoisotopic mass223.103088 Da
  • ChemSpider ID25033528

More details:

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

Formamide, N-[1-[[4-(methylthio)phenyl]methyl]propyl]- [ACD/Index Name]
N-{1-[4-(Methylsulfanyl)phenyl]-2-butanyl}formamid [German] [ACD/IUPAC Name]
N-{1-[4-(Methylsulfanyl)phenyl]-2-butanyl}formamide [ACD/IUPAC Name]
N-{1-[4-(Méthylsulfanyl)phényl]-2-butanyl}formamide [French] [ACD/IUPAC Name]
1236220-30-6 [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: 415.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.2±26.8 °C
Index of Refraction: 1.553
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.50
ACD/KOC (pH 5.5): 776.14
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.50
ACD/KOC (pH 7.4): 776.14
Polar Surface Area: 54 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 207.9±5.0 cm3

Click to predict properties on the Chemicalize site


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