Found 25 results

Search term: MF = 'C_{21}H_{18}F_{6}N_{2}O_{2}S'
ChemSpider 2D Image | 3-{6-(Hydroxymethyl)-1-[3,3,3-trifluoro-2-(hydroxymethyl)-2-(trifluoromethyl)propyl]-1H-indol-3-yl}benzenecarbothioamide | C21H18F6N2O2S

3-{6-(Hydroxymethyl)-1-[3,3,3-trifluoro-2-(hydroxymethyl)-2-(trifluoromethyl)propyl]-1H-indol-3-yl}benzenecarbothioamide

  • Molecular FormulaC21H18F6N2O2S
  • Average mass476.435 Da
  • Monoisotopic mass476.099304 Da
  • ChemSpider ID127430458

More details:

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

3-{6-(Hydroxymethyl)-1-[3,3,3-trifluor-2-(hydroxymethyl)-2-(trifluormethyl)propyl]-1H-indol-3-yl}benzolcarbothioamid [German] [ACD/IUPAC Name]
3-{6-(Hydroxymethyl)-1-[3,3,3-trifluoro-2-(hydroxymethyl)-2-(trifluoromethyl)propyl]-1H-indol-3-yl}benzenecarbothioamide [ACD/IUPAC Name]
3-{6-(Hydroxyméthyl)-1-[3,3,3-trifluoro-2-(hydroxyméthyl)-2-(trifluorométhyl)propyl]-1H-indol-3-yl}benzènecarbothioamide [French] [ACD/IUPAC Name]
Benzenecarbothioamide, 3-[6-(hydroxymethyl)-1-[3,3,3-trifluoro-2-(hydroxymethyl)-2-(trifluoromethyl)propyl]-1H-indol-3-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 658.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.7±34.3 °C
Index of Refraction: 1.566
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 855.70
ACD/KOC (pH 5.5): 4370.68
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 855.74
ACD/KOC (pH 7.4): 4370.89
Polar Surface Area: 104 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 329.1±7.0 cm3

Click to predict properties on the Chemicalize site


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