ChemSpider 2D Image | 3-(Methylsulfanyl)-3-cyclobutene-1,2-dione | C5H4O2S

3-(Methylsulfanyl)-3-cyclobutene-1,2-dione

  • Molecular FormulaC5H4O2S
  • Average mass128.149 Da
  • Monoisotopic mass127.993202 Da
  • ChemSpider ID60823625

More details:

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

3-(Methylsulfanyl)-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-(Methylsulfanyl)-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-(Méthylsulfanyl)-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
3-Cyclobutene-1,2-dione, 3-(methylthio)- [ACD/Index Name]
71442-87-0 [RN]
MFCD24694369

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

Density: 1.4±0.1 g/cm3
Boiling Point: 232.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.9±3.0 kJ/mol
Flash Point: 105.2±18.2 °C
Index of Refraction: 1.574
Molar Refractivity: 31.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.06
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 58.01
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.04
ACD/KOC (pH 7.4): 58.01
Polar Surface Area: 59 Å2
Polarizability: 12.3±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 94.1±5.0 cm3

Click to predict properties on the Chemicalize site


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