ChemSpider 2D Image | 2-Methyl-2-propanyl 3-sulfanyl-2-(sulfanylmethyl)propanoate | C8H16O2S2

2-Methyl-2-propanyl 3-sulfanyl-2-(sulfanylmethyl)propanoate

  • Molecular FormulaC8H16O2S2
  • Average mass208.341 Da
  • Monoisotopic mass208.059174 Da
  • ChemSpider ID28545509

More details:

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

2-Methyl-2-propanyl 3-sulfanyl-2-(sulfanylmethyl)propanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-sulfanyl-2-(sulfanylmethyl)propanoat [German] [ACD/IUPAC Name]
3-Sulfanyl-2-(sulfanylméthyl)propanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Propanoic acid, 3-mercapto-2-(mercaptomethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
1354950-48-3 [RN]
MFCD20441614
tert-butyl 3-sulfanyl-2-(sulfanylmethyl)propanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 293.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 174.4±12.5 °C
Index of Refraction: 1.500
Molar Refractivity: 56.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.73
ACD/KOC (pH 5.5): 594.64
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.81
ACD/KOC (pH 7.4): 584.20
Polar Surface Area: 104 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 192.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement