ChemSpider 2D Image | 2-(2-Isopropoxyphenyl)ethanethiol | C11H16OS

2-(2-Isopropoxyphenyl)ethanethiol

  • Molecular FormulaC11H16OS
  • Average mass196.309 Da
  • Monoisotopic mass196.092178 Da
  • ChemSpider ID32916939

More details:

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

2-(2-Isopropoxyphenyl)ethanethiol [ACD/IUPAC Name]
2-(2-Isopropoxyphényl)éthanethiol [French] [ACD/IUPAC Name]
2-(2-Isopropoxyphenyl)ethanthiol [German] [ACD/IUPAC Name]
Benzeneethanethiol, 2-(1-methylethoxy)- [ACD/Index Name]
1314929-81-1 [RN]
2-(2-iso-Propoxyphenyl)ethanethiol
2-[2-(propan-2-yloxy)phenyl]ethane-1-thiol
atoms 13 bonds 13
MFCD11521178

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

Density: 1.0±0.1 g/cm3
Boiling Point: 279.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.7±3.0 kJ/mol
Flash Point: 122.7±22.6 °C
Index of Refraction: 1.528
Molar Refractivity: 59.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 347.73
ACD/KOC (pH 5.5): 2294.15
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 347.18
ACD/KOC (pH 7.4): 2290.56
Polar Surface Area: 48 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 193.7±3.0 cm3

Click to predict properties on the Chemicalize site


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