ChemSpider 2D Image | 4-Thioxo-2-pentanone | C5H8OS

4-Thioxo-2-pentanone

  • Molecular FormulaC5H8OS
  • Average mass116.181 Da
  • Monoisotopic mass116.029587 Da
  • ChemSpider ID13252445

More details:






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

2-Pentanone, 4-thioxo- [ACD/Index Name]
4-Thioxo-2-pentanon [German] [ACD/IUPAC Name]
4-Thioxo-2-pentanone [ACD/IUPAC Name]
4-Thioxo-2-pentanone [French] [ACD/IUPAC Name]
14660-20-9 [RN]
2-Pentanone, 4-thioxo- (9CI)
2-PENTANONE,4-THIOXO-
4-Sulfanylidenepentan-2-one
MFCD18815608
thioacetylacetone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 173.1±42.0 °C at 760 mmHg
Vapour Pressure: 1.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.9±3.0 kJ/mol
Flash Point: 58.5±27.9 °C
Index of Refraction: 1.487
Molar Refractivity: 32.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.18
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 35.69
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 35.69
Polar Surface Area: 49 Å2
Polarizability: 12.9±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 113.2±3.0 cm3

Click to predict properties on the Chemicalize site






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