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Search term: DTIWTISZRWQKCA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [3-(Isobutylsulfanyl)phenyl]methanol | C11H16OS

[3-(Isobutylsulfanyl)phenyl]methanol

  • Molecular FormulaC11H16OS
  • Average mass196.309 Da
  • Monoisotopic mass196.092178 Da
  • ChemSpider ID35328140

More details:

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

[3-(Isobutylsulfanyl)phenyl]methanol [German] [ACD/IUPAC Name]
[3-(Isobutylsulfanyl)phenyl]methanol [ACD/IUPAC Name]
[3-(Isobutylsulfanyl)phényl]méthanol [French] [ACD/IUPAC Name]
Benzenemethanol, 3-[(2-methylpropyl)thio]- [ACD/Index Name]
(3-(Isobutylthio)phenyl)methanol
1443339-02-3 [RN]
3-iso-Butylthiobenzyl alcohol
atoms 13 bonds 13
MFCD21761040

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

Density: 1.1±0.1 g/cm3
Boiling Point: 315.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 153.5±21.9 °C
Index of Refraction: 1.559
Molar Refractivity: 59.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.18
ACD/KOC (pH 5.5): 974.77
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.18
ACD/KOC (pH 7.4): 974.77
Polar Surface Area: 46 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 184.1±5.0 cm3

Click to predict properties on the Chemicalize site


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