ChemSpider 2D Image | 3-(5-{[(2-Methylphenyl)sulfanyl]methyl}-3-thienyl)-2-propyn-1-ol | C15H14OS2

3-(5-{[(2-Methylphenyl)sulfanyl]methyl}-3-thienyl)-2-propyn-1-ol

  • Molecular FormulaC15H14OS2
  • Average mass274.401 Da
  • Monoisotopic mass274.048615 Da
  • ChemSpider ID38821899

More details:

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

2-Propyn-1-ol, 3-[5-[[(2-methylphenyl)thio]methyl]-3-thienyl]- [ACD/Index Name]
3-(5-{[(2-Methylphenyl)sulfanyl]methyl}-3-thienyl)-2-propin-1-ol [German] [ACD/IUPAC Name]
3-(5-{[(2-Methylphenyl)sulfanyl]methyl}-3-thienyl)-2-propyn-1-ol [ACD/IUPAC Name]
3-(5-{[(2-Méthylphényl)sulfanyl]méthyl}-3-thiényl)-2-propyn-1-ol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 437.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 218.6±28.7 °C
Index of Refraction: 1.665
Molar Refractivity: 80.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 392.48
ACD/KOC (pH 5.5): 2501.85
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 392.48
ACD/KOC (pH 7.4): 2501.84
Polar Surface Area: 74 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 216.3±5.0 cm3

Click to predict properties on the Chemicalize site


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