ChemSpider 2D Image | 3-{5-Methoxy-2-[4-(methylsulfanyl)phenyl]-1-benzothiophen-3-yl}-2-propyn-1-ol | C19H16O2S2

3-{5-Methoxy-2-[4-(methylsulfanyl)phenyl]-1-benzothiophen-3-yl}-2-propyn-1-ol

  • Molecular FormulaC19H16O2S2
  • Average mass340.459 Da
  • Monoisotopic mass340.059174 Da
  • ChemSpider ID26340813

More details:

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

2-Propyn-1-ol, 3-[5-methoxy-2-[4-(methylthio)phenyl]benzo[b]thien-3-yl]- [ACD/Index Name]
3-{5-Methoxy-2-[4-(methylsulfanyl)phenyl]-1-benzothiophen-3-yl}-2-propin-1-ol [German] [ACD/IUPAC Name]
3-{5-Methoxy-2-[4-(methylsulfanyl)phenyl]-1-benzothiophen-3-yl}-2-propyn-1-ol [ACD/IUPAC Name]
3-{5-Méthoxy-2-[4-(méthylsulfanyl)phényl]-1-benzothiophén-3-yl}-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: 556.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 290.1±30.1 °C
Index of Refraction: 1.709
Molar Refractivity: 99.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4423.38
ACD/KOC (pH 5.5): 14165.23
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4423.37
ACD/KOC (pH 7.4): 14165.20
Polar Surface Area: 83 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 255.3±5.0 cm3

Click to predict properties on the Chemicalize site


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