ChemSpider 2D Image | 5-Methoxy-2-(phenylsulfanyl)benzenethiol | C13H12OS2

5-Methoxy-2-(phenylsulfanyl)benzenethiol

  • Molecular FormulaC13H12OS2
  • Average mass248.364 Da
  • Monoisotopic mass248.032959 Da
  • ChemSpider ID35771539

More details:






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

5-Methoxy-2-(phenylsulfanyl)benzenethiol [ACD/IUPAC Name]
5-Méthoxy-2-(phénylsulfanyl)benzènethiol [French] [ACD/IUPAC Name]
5-Methoxy-2-(phenylsulfanyl)benzolthiol [German] [ACD/IUPAC Name]
Benzenethiol, 5-methoxy-2-(phenylthio)- [ACD/Index Name]
5-Methoxy-2-(phenylsulfanyl)benzene-1-thiol
5-Methoxy-2-(phenylthio)benzenethiol
60719-00-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 377.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 182.1±25.1 °C
Index of Refraction: 1.656
Molar Refractivity: 73.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 808.39
ACD/KOC (pH 5.5): 3872.29
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 40.48
ACD/KOC (pH 7.4): 193.89
Polar Surface Area: 73 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 200.6±5.0 cm3

Click to predict properties on the Chemicalize site






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