ChemSpider 2D Image | 2,2-Dimethyltetrahydro-4H-thiopyran-4-one 1,1-dioxide | C7H12O3S

2,2-Dimethyltetrahydro-4H-thiopyran-4-one 1,1-dioxide

  • Molecular FormulaC7H12O3S
  • Average mass176.233 Da
  • Monoisotopic mass176.050720 Da
  • ChemSpider ID60824335

More details:

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

1,1-Dioxyde de 2,2-diméthyltétrahydro-4H-thiopyrane-4-one [French] [ACD/IUPAC Name]
2,2-Dimethyltetrahydro-4H-thiopyran-4-on-1,1-dioxid [German] [ACD/IUPAC Name]
2,2-Dimethyltetrahydro-4H-thiopyran-4-one 1,1-dioxide [ACD/IUPAC Name]
4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-, 1,1-dioxide [ACD/Index Name]
2,2-Dimethyldihydro-2H-thiopyran-4(3H)-one 1,1-dioxide
90271-21-9 [RN]
MFCD24698297
tetrahydro-2,2-dimethylthiopyran-4-one 1,1-dioxide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 351.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.6±3.0 kJ/mol
Flash Point: 215.0±18.6 °C
Index of Refraction: 1.471
Molar Refractivity: 41.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.59
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.78
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.78
Polar Surface Area: 60 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 147.9±3.0 cm3

Click to predict properties on the Chemicalize site


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