ChemSpider 2D Image | MFCD09865537 | C7H12O3S

MFCD09865537

  • Molecular FormulaC7H12O3S
  • Average mass176.233 Da
  • Monoisotopic mass176.050720 Da
  • ChemSpider ID21763058

More details:

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

1,1-Dioxyde de 2,6-diméthyltétrahydro-4H-thiopyrane-4-one [French] [ACD/IUPAC Name]
2,6-dimethyl-1??-thiane-1,1,4-trione
2,6-Dimethyltetrahydro-4H-thiopyran-4-on-1,1-dioxid [German] [ACD/IUPAC Name]
2,6-Dimethyltetrahydro-4H-thiopyran-4-one 1,1-dioxide [ACD/IUPAC Name]
4H-Thiopyran-4-one, tetrahydro-2,6-dimethyl-, 1,1-dioxide [ACD/Index Name]
56580-78-0 [RN]
MFCD09865537
2,6-dimethyl-1λ6-thiane-1,1,4-trione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 359.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 223.5±18.6 °C
Index of Refraction: 1.465
Molar Refractivity: 41.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.00
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.00
Polar Surface Area: 60 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 149.5±3.0 cm3

Click to predict properties on the Chemicalize site


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