ChemSpider 2D Image | 3-Acetyltetrahydro-4H-thiopyran-4-one | C7H10O2S

3-Acetyltetrahydro-4H-thiopyran-4-one

  • Molecular FormulaC7H10O2S
  • Average mass158.218 Da
  • Monoisotopic mass158.040146 Da
  • ChemSpider ID24193477

More details:

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

3-Acetyltetrahydro-4H-thiopyran-4-on [German] [ACD/IUPAC Name]
3-Acetyltetrahydro-4H-thiopyran-4-one [ACD/IUPAC Name]
3-Acétyltétrahydro-4H-thiopyrane-4-one [French] [ACD/IUPAC Name]
4H-Thiopyran-4-one, 3-acetyltetrahydro- [ACD/Index Name]
144535-06-8 [RN]
3-acetyldihydro-2H-thiopyran-4(3H)-one
3-ACETYLTHIAN-4-ONE
4H-Thiopyran-4-one, 3-acetyltetrahydro- (9CI)
4h-thiopyran-4-one,3-acetyltetrahydro-
MFCD18820357

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

Density: 1.2±0.1 g/cm3
Boiling Point: 297.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.8±3.0 kJ/mol
Flash Point: 135.2±17.4 °C
Index of Refraction: 1.519
Molar Refractivity: 40.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.23
ACD/KOC (pH 5.5): 80.50
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.19
ACD/KOC (pH 7.4): 79.47
Polar Surface Area: 59 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 133.7±3.0 cm3

Click to predict properties on the Chemicalize site


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