ChemSpider 2D Image | 2-[3-(Trimethylsilyl)-1-propyn-1-yl]benzenethiol | C12H16SSi

2-[3-(Trimethylsilyl)-1-propyn-1-yl]benzenethiol

  • Molecular FormulaC12H16SSi
  • Average mass220.406 Da
  • Monoisotopic mass220.074203 Da
  • ChemSpider ID91212359

More details:

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

2-[3-(Trimethylsilyl)-1-propin-1-yl]benzolthiol [German] [ACD/IUPAC Name]
2-[3-(Trimethylsilyl)-1-propyn-1-yl]benzenethiol [ACD/IUPAC Name]
2-[3-(Triméthylsilyl)-1-propyn-1-yl]benzènethiol [French] [ACD/IUPAC Name]
Benzenethiol, 2-[3-(trimethylsilyl)-1-propyn-1-yl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 297.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 133.4±23.2 °C
Index of Refraction: 1.537
Molar Refractivity: 69.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2308.78
ACD/KOC (pH 5.5): 8483.27
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 178.92
ACD/KOC (pH 7.4): 657.43
Polar Surface Area: 39 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 33.4±5.0 dyne/cm
Molar Volume: 221.6±5.0 cm3

Click to predict properties on the Chemicalize site


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