ChemSpider 2D Image | 3-[3-(Methylsulfonyl)propyl]-1,3,4-thiadiazol-2(3H)-one | C6H10N2O3S2

3-[3-(Methylsulfonyl)propyl]-1,3,4-thiadiazol-2(3H)-one

  • Molecular FormulaC6H10N2O3S2
  • Average mass222.285 Da
  • Monoisotopic mass222.013275 Da
  • ChemSpider ID64965055

More details:

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

1,3,4-Thiadiazol-2(3H)-one, 3-[3-(methylsulfonyl)propyl]- [ACD/Index Name]
3-[3-(Methylsulfonyl)propyl]-1,3,4-thiadiazol-2(3H)-on [German] [ACD/IUPAC Name]
3-[3-(Methylsulfonyl)propyl]-1,3,4-thiadiazol-2(3H)-one [ACD/IUPAC Name]
3-[3-(Méthylsulfonyl)propyl]-1,3,4-thiadiazol-2(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 427.9±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.6±29.3 °C
Index of Refraction: 1.637
Molar Refractivity: 52.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.08
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.08
Polar Surface Area: 100 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 147.4±7.0 cm3

Click to predict properties on the Chemicalize site


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