Found 1 result

Search term: CC1=C(C(SC1=O)(C)C=C(C)C=C)O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-Hydroxy-3,5-dimethyl-5-(2-methyl-1,3-butadien-1-yl)-2(5H)-thiophenone | C11H14O2S

4-Hydroxy-3,5-dimethyl-5-(2-methyl-1,3-butadien-1-yl)-2(5H)-thiophenone

  • Molecular FormulaC11H14O2S
  • Average mass210.293 Da
  • Monoisotopic mass210.071457 Da
  • ChemSpider ID34227807

More details:

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

2(5H)-Thiophenone, 4-hydroxy-3,5-dimethyl-5-(2-methyl-1,3-butadien-1-yl)- [ACD/Index Name]
4-Hydroxy-3,5-dimethyl-5-(2-methyl-1,3-butadien-1-yl)-2(5H)-thiophenon [German] [ACD/IUPAC Name]
4-Hydroxy-3,5-dimethyl-5-(2-methyl-1,3-butadien-1-yl)-2(5H)-thiophenone [ACD/IUPAC Name]
4-Hydroxy-3,5-diméthyl-5-(2-méthyl-1,3-butadién-1-yl)-2(5H)-thiophénone [French] [ACD/IUPAC Name]
99265-28-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 328.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.1±6.0 kJ/mol
Flash Point: 152.2±27.9 °C
Index of Refraction: 1.633
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 3.67
ACD/KOC (pH 5.5): 44.67
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 173.2±3.0 cm3

Click to predict properties on the Chemicalize site


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