ChemSpider 2D Image | 3-{[(4-Methylphenyl)sulfonyl]methyl}tetrahydrothiophene 1,1-dioxide | C12H16O4S2

3-{[(4-Methylphenyl)sulfonyl]methyl}tetrahydrothiophene 1,1-dioxide

  • Molecular FormulaC12H16O4S2
  • Average mass288.383 Da
  • Monoisotopic mass288.049011 Da
  • ChemSpider ID72384822

More details:

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

1,1-Dioxyde de 3-{[(4-méthylphényl)sulfonyl]méthyl}tétrahydrothiophène [French] [ACD/IUPAC Name]
3-{[(4-Methylphenyl)sulfonyl]methyl}tetrahydrothiophen-1,1-dioxid [German] [ACD/IUPAC Name]
3-{[(4-Methylphenyl)sulfonyl]methyl}tetrahydrothiophene 1,1-dioxide [ACD/IUPAC Name]
Thiophene, tetrahydro-3-[[(4-methylphenyl)sulfonyl]methyl]-, 1,1-dioxide [ACD/Index Name]
1632381-13-5 [RN]
3-(TOSYLMETHYL)TETRAHYDROTHIOPHENE 1,1-DIOXIDE
MFCD31555476

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

Density: 1.3±0.1 g/cm3
Boiling Point: 551.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 374.0±20.6 °C
Index of Refraction: 1.554
Molar Refractivity: 70.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 58.04
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.04
ACD/KOC (pH 7.4): 58.04
Polar Surface Area: 85 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 218.8±3.0 cm3

Click to predict properties on the Chemicalize site


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