ChemSpider 2D Image | 4-Methoxy-3-(3-methylbutoxy)benzenethiol | C12H18O2S

4-Methoxy-3-(3-methylbutoxy)benzenethiol

  • Molecular FormulaC12H18O2S
  • Average mass226.335 Da
  • Monoisotopic mass226.102753 Da
  • ChemSpider ID35330295

More details:

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

1443344-08-8 [RN]
4-Methoxy-3-(3-methylbutoxy)benzenethiol [ACD/IUPAC Name]
4-Méthoxy-3-(3-méthylbutoxy)benzènethiol [French] [ACD/IUPAC Name]
4-Methoxy-3-(3-methylbutoxy)benzolthiol [German] [ACD/IUPAC Name]
Benzenethiol, 4-methoxy-3-(3-methylbutoxy)- [ACD/Index Name]
4-METHOXY-3-(3-METHYLBUTOXY)BENZENE-1-THIOL
4-Methoxy-3-iso-pentoxythiophenol
atoms 15 bonds 15
MFCD18426911

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

Density: 1.0±0.1 g/cm3
Boiling Point: 320.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 147.6±22.3 °C
Index of Refraction: 1.524
Molar Refractivity: 66.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 273.23
ACD/KOC (pH 5.5): 1883.43
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 36.45
ACD/KOC (pH 7.4): 251.28
Polar Surface Area: 57 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 216.5±3.0 cm3

Click to predict properties on the Chemicalize site


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