ChemSpider 2D Image | 2-[(Dimethylcarbamothioyl)sulfanyl]-2-methylbutanoic acid | C8H15NO2S2

2-[(Dimethylcarbamothioyl)sulfanyl]-2-methylbutanoic acid

  • Molecular FormulaC8H15NO2S2
  • Average mass221.340 Da
  • Monoisotopic mass221.054413 Da
  • ChemSpider ID28586789

More details:

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

2-[(Dimethylcarbamothioyl)sulfanyl]-2-methylbutanoic acid [ACD/IUPAC Name]
2-[(Dimethylcarbamothioyl)sulfanyl]-2-methylbutansäure [German] [ACD/IUPAC Name]
Acide 2-[(diméthylcarbamothioyl)sulfanyl]-2-méthylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[(dimethylamino)thioxomethyl]thio]-2-methyl- [ACD/Index Name]
2-((Dimethylcarbamothioyl)thio)-2-methylbutanoic acid
548761-52-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 321.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 61.9±6.0 kJ/mol
Flash Point: 148.1±28.4 °C
Index of Refraction: 1.571
Molar Refractivity: 59.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 181.5±3.0 cm3

Click to predict properties on the Chemicalize site


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