ChemSpider 2D Image | Dimethyl (thioxomethylene)malonate | C6H6O4S

Dimethyl (thioxomethylene)malonate

  • Molecular FormulaC6H6O4S
  • Average mass174.174 Da
  • Monoisotopic mass173.998672 Da
  • ChemSpider ID28698148

More details:






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

(Thioxométhylène)malonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (thioxomethylene)malonate [ACD/IUPAC Name]
Dimethyl-(thioxomethylen)malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-carbonothioyl-, dimethyl ester [ACD/Index Name]
89186-09-4 [RN]
Dimethyl (sulfanylidenemethylidene)propanedioate
PROPANEDIOIC ACID, CARBONOTHIOYL-, DIMETHYL ESTER

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 194.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.1±3.0 kJ/mol
Flash Point: 71.5±30.1 °C
Index of Refraction: 1.500
Molar Refractivity: 40.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 38.52
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 38.52
Polar Surface Area: 85 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 30.7±3.0 dyne/cm
Molar Volume: 138.2±3.0 cm3

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