ChemSpider 2D Image | Ethyl bis(methylsulfanyl)acetate | C6H12O2S2

Ethyl bis(methylsulfanyl)acetate

  • Molecular FormulaC6H12O2S2
  • Average mass180.288 Da
  • Monoisotopic mass180.027863 Da
  • ChemSpider ID35785389

More details:

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

Acetic acid, 2,2-bis(methylthio)-, ethyl ester [ACD/Index Name]
Bis(méthylsulfanyl)acétate d'éthyle [French] [ACD/IUPAC Name]
Ethyl bis(methylsulfanyl)acetate [ACD/IUPAC Name]
Ethyl-bis(methylsulfanyl)acetat [German] [ACD/IUPAC Name]
7023-83-8 [RN]
ACETIC ACID, BIS(METHYLTHIO)-, ETHYL ESTER

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

Density: 1.1±0.1 g/cm3
Boiling Point: 236.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.4±3.0 kJ/mol
Flash Point: 100.7±12.6 °C
Index of Refraction: 1.509
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.98
ACD/KOC (pH 5.5): 443.32
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.98
ACD/KOC (pH 7.4): 443.32
Polar Surface Area: 77 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 159.4±3.0 cm3

Click to predict properties on the Chemicalize site


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