ChemSpider 2D Image | 1,1,1-Trifluoro-N-methyl-N-[2-(methylsulfanyl)benzyl]methanamine | C10H12F3NS

1,1,1-Trifluoro-N-methyl-N-[2-(methylsulfanyl)benzyl]methanamine

  • Molecular FormulaC10H12F3NS
  • Average mass235.269 Da
  • Monoisotopic mass235.064255 Da
  • ChemSpider ID29300857

More details:

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

1,1,1-Trifluor-N-methyl-N-[2-(methylsulfanyl)benzyl]methanamin [German] [ACD/IUPAC Name]
1,1,1-Trifluoro-N-methyl-N-[2-(methylsulfanyl)benzyl]methanamine [ACD/IUPAC Name]
1,1,1-Trifluoro-N-méthyl-N-[2-(méthylsulfanyl)benzyl]méthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, N-methyl-2-(methylthio)-N-(trifluoromethyl)- [ACD/Index Name]
1,1,1-trifluoro-N-methyl-N-(2-(methylthio)benzyl)methanamine
1420840-39-6 [RN]
METHYL({[2-(METHYLSULFANYL)PHENYL]METHYL})(TRIFLUOROMETHYL)AMINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 230.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.7±3.0 kJ/mol
Flash Point: 93.3±27.3 °C
Index of Refraction: 1.511
Molar Refractivity: 57.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 291.30
ACD/KOC (pH 5.5): 2021.06
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 291.30
ACD/KOC (pH 7.4): 2021.06
Polar Surface Area: 29 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 34.2±5.0 dyne/cm
Molar Volume: 192.0±5.0 cm3

Click to predict properties on the Chemicalize site


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