ChemSpider 2D Image | 4-Hydroxy-5-isopropyl-3,5-dimethyl-2(5H)-thiophenone | C9H14O2S

4-Hydroxy-5-isopropyl-3,5-dimethyl-2(5H)-thiophenone

  • Molecular FormulaC9H14O2S
  • Average mass186.271 Da
  • Monoisotopic mass186.071457 Da
  • ChemSpider ID21514053

More details:

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

2(5H)-Thiophenone, 4-hydroxy-3,5-dimethyl-5-(1-methylethyl)- [ACD/Index Name]
4-Hydroxy-5-isopropyl-3,5-dimethyl-; 5H-thiophen-2-one
4-Hydroxy-5-isopropyl-3,5-dimethyl-2(5H)-thiophenon [German] [ACD/IUPAC Name]
4-Hydroxy-5-isopropyl-3,5-dimethyl-2(5H)-thiophenone [ACD/IUPAC Name]
4-Hydroxy-5-isopropyl-3,5-diméthyl-2(5H)-thiophénone [French] [ACD/IUPAC Name]
4-Hydroxy-5-isopropyl-3,5-dimethylthiophen-2(5H)-one
4-Hydroxy-5-isopropyl-3,5-dimethyl-
4-Hydroxy-5-isopropyl-3,5-dimethyl-5H-thiophen-2-one
5H-thiophen-2-one
873801-45-7 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.2±0.1 g/cm3
Boiling Point: 280.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.3±6.0 kJ/mol
Flash Point: 123.6±27.3 °C
Index of Refraction: 1.546
Molar Refractivity: 51.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 2.66
ACD/KOC (pH 5.5): 35.53
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 161.5±3.0 cm3

Click to predict properties on the Chemicalize site


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