ChemSpider 2D Image | 3-(~2~H_3_)Methyl-3-sulfanyl(4,4,4-~2~H_3_)butyl formate | C6H6D6O2S

3-(2H3)Methyl-3-sulfanyl(4,4,4-2H3)butyl formate

  • Molecular FormulaC6H6D6O2S
  • Average mass154.260 Da
  • Monoisotopic mass154.093460 Da
  • ChemSpider ID48063299

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Butan-4,4,4-d3-ol, 3-mercapto-3-(methyl-d3)-, formate [ACD/Index Name]
3-(2H3)Methyl-3-sulfanyl(4,4,4-2H3)butyl formate [ACD/IUPAC Name]
3-(2H3)Methyl-3-sulfanyl(4,4,4-2H3)butylformiat [German] [ACD/IUPAC Name]
Formiate de 3-(2H3)méthyl-3-sulfanyl(4,4,4-2H3)butyle [French] [ACD/IUPAC Name]
[4,4,4-trideuterio-3-sulfanyl-3-(trideuteriomethyl)butyl] formate
162404-32-2 [RN]
3-Mercapto-3-methylbutyl-d6 Formate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 195.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.2±3.0 kJ/mol
Flash Point: 77.5±10.5 °C
Index of Refraction: 1.458
Molar Refractivity: 39.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.05
ACD/KOC (pH 5.5): 206.71
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.05
ACD/KOC (pH 7.4): 206.64
Polar Surface Area: 65 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 145.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement