ChemSpider 2D Image | S-[(2S)-2-Pentanyl] ethanethioate | C7H14OS

S-[(2S)-2-Pentanyl] ethanethioate

  • Molecular FormulaC7H14OS
  • Average mass146.251 Da
  • Monoisotopic mass146.076538 Da
  • ChemSpider ID74099850

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Éthanethioate de S-[(2S)-2-pentanyle] [French] [ACD/IUPAC Name]
Ethanethioic acid, S-[(1S)-1-methylbutyl] ester [ACD/Index Name]
S-[(2S)-2-Pentanyl] ethanethioate [ACD/IUPAC Name]
S-[(2S)-2-Pentanyl]-ethanthioat [German] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 180.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.7±3.0 kJ/mol
Flash Point: 56.1±12.3 °C
Index of Refraction: 1.458
Molar Refractivity: 42.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.36
ACD/KOC (pH 5.5): 789.61
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.36
ACD/KOC (pH 7.4): 789.61
Polar Surface Area: 42 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 29.9±3.0 dyne/cm
Molar Volume: 155.5±3.0 cm3

Click to predict properties on the Chemicalize site


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