ChemSpider 2D Image | 3(2H)-Thiophenylidenemethanone | C5H4OS

3(2H)-Thiophenylidenemethanone

  • Molecular FormulaC5H4OS
  • Average mass112.150 Da
  • Monoisotopic mass111.998283 Da
  • ChemSpider ID62864617

More details:






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

3(2H)-Thiophenylidenemethanone [ACD/IUPAC Name]
3(2H)-Thiophénylidèneméthanone [French] [ACD/IUPAC Name]
3(2H)-Thiophenylidenmethanon [German] [ACD/IUPAC Name]
Methanone, 3(2H)-thienylidene- [ACD/Index Name]
137040-79-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 171.2±20.0 °C at 760 mmHg
Vapour Pressure: 1.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.8±3.0 kJ/mol
Flash Point: 66.2±11.8 °C
Index of Refraction: 1.560
Molar Refractivity: 31.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.16
ACD/KOC (pH 5.5): 79.40
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.16
ACD/KOC (pH 7.4): 79.40
Polar Surface Area: 42 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 21.1±5.0 dyne/cm
Molar Volume: 96.6±5.0 cm3

Click to predict properties on the Chemicalize site






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