ChemSpider 2D Image | S-(2-Methyl-2-propanyl) phenylmethanesulfinothioate | C11H16OS2

S-(2-Methyl-2-propanyl) phenylmethanesulfinothioate

  • Molecular FormulaC11H16OS2
  • Average mass228.374 Da
  • Monoisotopic mass228.064255 Da
  • ChemSpider ID25053507

More details:

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

Benzenemethanesulfinothioic acid, S-(1,1-dimethylethyl) ester [ACD/Index Name]
Phénylméthanesulfinothioate de S-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
S-(2-Methyl-2-propanyl) phenylmethanesulfinothioate [ACD/IUPAC Name]
S-(2-Methyl-2-propanyl)-phenylmethansulfinothioat [German] [ACD/IUPAC Name]
89523-60-4 [RN]
S-tert-Butyl phenylmethanesulfinothioate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 364.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.6±3.0 kJ/mol
Flash Point: 174.1±25.9 °C
Index of Refraction: 1.597
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 85.03
ACD/KOC (pH 5.5): 837.13
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 85.03
ACD/KOC (pH 7.4): 837.13
Polar Surface Area: 62 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 195.3±3.0 cm3

Click to predict properties on the Chemicalize site


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