ChemSpider 2D Image | 5-Methyl-5-[(methylsulfanyl)methyl]-3-(methylsulfonyl)-4,5-dihydro-1,2-oxazole | C7H13NO3S2

5-Methyl-5-[(methylsulfanyl)methyl]-3-(methylsulfonyl)-4,5-dihydro-1,2-oxazole

  • Molecular FormulaC7H13NO3S2
  • Average mass223.313 Da
  • Monoisotopic mass223.033676 Da
  • ChemSpider ID29272329

More details:

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

5-Methyl-5-[(methylsulfanyl)methyl]-3-(methylsulfonyl)-4,5-dihydro-1,2-oxazol [German] [ACD/IUPAC Name]
5-Methyl-5-[(methylsulfanyl)methyl]-3-(methylsulfonyl)-4,5-dihydro-1,2-oxazole [ACD/IUPAC Name]
5-Méthyl-5-[(méthylsulfanyl)méthyl]-3-(méthylsulfonyl)-4,5-dihydro-1,2-oxazole [French] [ACD/IUPAC Name]
Isoxazole, 4,5-dihydro-5-methyl-3-(methylsulfonyl)-5-[(methylthio)methyl]- [ACD/Index Name]
1446488-13-6 [RN]
3-Methanesulfonyl-5-methyl-5-methylsulfanylmethyl-4,5-dihydro-isoxazole
MFCD25563403

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

Density: 1.3±0.1 g/cm3
Boiling Point: 325.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.5±3.0 kJ/mol
Flash Point: 150.5±25.7 °C
Index of Refraction: 1.569
Molar Refractivity: 54.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 53.22
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 53.22
Polar Surface Area: 89 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 165.5±7.0 cm3

Click to predict properties on the Chemicalize site


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