ChemSpider 2D Image | {[3-(Trifluoromethoxy)phenyl]imino}methanethiol | C8H6F3NOS

{[3-(Trifluoromethoxy)phenyl]imino}methanethiol

  • Molecular FormulaC8H6F3NOS
  • Average mass221.199 Da
  • Monoisotopic mass221.012222 Da
  • ChemSpider ID48052816

More details:

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

{[3-(Trifluormethoxy)phenyl]imino}methanthiol [German] [ACD/IUPAC Name]
{[3-(Trifluoromethoxy)phenyl]imino}methanethiol [ACD/IUPAC Name]
{[3-(Trifluorométhoxy)phényl]imino}méthanethiol [French] [ACD/IUPAC Name]
Methanimidothioic acid, [3-(trifluoromethoxy)phenyl]- [ACD/Index Name]
1-Isothiocyanato-3-(trifluoromethoxy)benzene [ACD/IUPAC Name]
3-Isothiocyanatophenyl trifluoromethyl ether
471937-78-7 [RN]
benzene, 1-isothiocyanato-3-(trifluoromethoxy)
Benzene, 1-isothiocyanato-3-(trifluoromethoxy)- [ACD/Index Name]

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

MFCD07596437 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 236.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.4±3.0 kJ/mol
Flash Point: 96.9±30.1 °C
Index of Refraction: 1.496
Molar Refractivity: 48.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 12.82
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.33
Polar Surface Area: 60 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 30.3±7.0 dyne/cm
Molar Volume: 166.8±7.0 cm3

Click to predict properties on the Chemicalize site


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