ChemSpider 2D Image | 2-[[(1,1-Dimethylethyl)thio]thioxomethoxy]acetic acid | C7H12O3S2

2-[[(1,1-Dimethylethyl)thio]thioxomethoxy]acetic acid

  • Molecular FormulaC7H12O3S2
  • Average mass208.298 Da
  • Monoisotopic mass208.022781 Da
  • ChemSpider ID73937568

More details:

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

({[(2-Methyl-2-propanyl)sulfanyl]carbonothioyl}oxy)acetic acid [ACD/IUPAC Name]
({[(2-Methyl-2-propanyl)sulfanyl]carbonothioyl}oxy)essigsäure [German] [ACD/IUPAC Name]
2-[[(1,1-Dimethylethyl)thio]thioxomethoxy]acetic acid
82979-46-2 [RN]
Acetic acid, 2-[[(1,1-dimethylethyl)thio]thioxomethoxy]- [ACD/Index Name]
Acide ({[(2-méthyl-2-propanyl)sulfanyl]carbonothioyl}oxy)acétique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 332.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.2±6.0 kJ/mol
Flash Point: 154.7±23.2 °C
Index of Refraction: 1.560
Molar Refractivity: 53.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 164.1±3.0 cm3

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