ChemSpider 2D Image | 3-Methyl-4-thioxo-3-buten-2-one | C5H6OS

3-Methyl-4-thioxo-3-buten-2-one

  • Molecular FormulaC5H6OS
  • Average mass114.165 Da
  • Monoisotopic mass114.013931 Da
  • ChemSpider ID24191850

More details:

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

3-Buten-2-one, 3-methyl-4-thioxo- [ACD/Index Name]
3-Methyl-4-thioxo-3-buten-2-on [German] [ACD/IUPAC Name]
3-Methyl-4-thioxo-3-buten-2-one [ACD/IUPAC Name]
3-Méthyl-4-thioxo-3-butén-2-one [French] [ACD/IUPAC Name]
3-Buten-2-one, 3-methyl-4-thioxo- (9CI)
3-BUTEN-2-ONE,3-METHYL-4-THIOXO-
3-Methyl-4-sulfanylidenebut-3-en-2-one
77771-48-3 [RN]
MFCD18817679

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

Density: 1.0±0.1 g/cm3
Boiling Point: 196.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.3±3.0 kJ/mol
Flash Point: 72.9±25.4 °C
Index of Refraction: 1.493
Molar Refractivity: 32.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.68
ACD/KOC (pH 5.5): 105.10
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.68
ACD/KOC (pH 7.4): 105.10
Polar Surface Area: 49 Å2
Polarizability: 12.9±0.5 10-24cm3
Surface Tension: 21.6±3.0 dyne/cm
Molar Volume: 111.8±3.0 cm3

Click to predict properties on the Chemicalize site


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