ChemSpider 2D Image | 2-(4-Methoxy-3,5-dimethylphenyl)ethanethiol | C11H16OS

2-(4-Methoxy-3,5-dimethylphenyl)ethanethiol

  • Molecular FormulaC11H16OS
  • Average mass196.309 Da
  • Monoisotopic mass196.092178 Da
  • ChemSpider ID32926991

More details:

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

1314976-64-1 [RN]
2-(4-Methoxy-3,5-dimethylphenyl)ethanethiol [ACD/IUPAC Name]
2-(4-Méthoxy-3,5-diméthylphényl)éthanethiol [French] [ACD/IUPAC Name]
2-(4-Methoxy-3,5-dimethylphenyl)ethanthiol [German] [ACD/IUPAC Name]
Benzeneethanethiol, 4-methoxy-3,5-dimethyl- [ACD/Index Name]
2-(3,5-Dimethyl-4-methoxyphenyl)ethanethiol
2-(4-methoxy-3,5-dimethylphenyl)ethane-1-thiol
atoms 13 bonds 13
MFCD11521134

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

Density: 1.0±0.1 g/cm3
Boiling Point: 287.5±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.6±3.0 kJ/mol
Flash Point: 127.7±24.0 °C
Index of Refraction: 1.535
Molar Refractivity: 60.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 493.98
ACD/KOC (pH 5.5): 2949.57
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 493.20
ACD/KOC (pH 7.4): 2944.93
Polar Surface Area: 48 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 192.9±3.0 cm3

Click to predict properties on the Chemicalize site


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