ChemSpider 2D Image | (3S)-3-(Acetylsulfanyl)hexyl acetate | C10H18O3S

(3S)-3-(Acetylsulfanyl)hexyl acetate

  • Molecular FormulaC10H18O3S
  • Average mass218.313 Da
  • Monoisotopic mass218.097672 Da
  • ChemSpider ID34988367

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(Acetylsulfanyl)hexyl acetate [ACD/IUPAC Name]
(3S)-3-(Acetylsulfanyl)hexyl-acetat [German] [ACD/IUPAC Name]
Acétate de (3S)-3-(acétylsulfanyl)hexyle [French] [ACD/IUPAC Name]
Ethanethioic acid, S-[(1S)-1-[2-(acetyloxy)ethyl]butyl] ester [ACD/Index Name]
136954-25-1 [RN]
3-(ACETYLMERCAPTO)HEXYL ACETATE
3-Mercaptohexyl acetate [ACD/IUPAC Name]
UNII-2951Y254J9
UNII-967LDJ3107

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

Density: 1.0±0.1 g/cm3
Boiling Point: 290.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 125.5±10.6 °C
Index of Refraction: 1.470
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 98.97
ACD/KOC (pH 5.5): 933.22
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 98.97
ACD/KOC (pH 7.4): 933.22
Polar Surface Area: 69 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 208.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement