ChemSpider 2D Image | (3R)-3-Mercaptohexyl acetate | C8H16O2S

(3R)-3-Mercaptohexyl acetate

  • Molecular FormulaC8H16O2S
  • Average mass176.276 Da
  • Monoisotopic mass176.087097 Da
  • ChemSpider ID32788451

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Mercaptohexyl acetate
(3R)-3-Sulfanylhexyl acetate [ACD/IUPAC Name]
(3R)-3-Sulfanylhexyl-acetat [German] [ACD/IUPAC Name]
145937-71-9 [RN]
1-Hexanol, 3-mercapto-, acetate, (3R)- [ACD/Index Name]
Acétate de (3R)-3-sulfanylhexyle [French] [ACD/IUPAC Name]
136954-20-6 [RN]
3-Mercaptohexyl acetate [ACD/IUPAC Name]
3-Sulfanylhexyl acetate [ACD/IUPAC Name]
UNII-2N346IQC0M
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 235.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.2±3.0 kJ/mol
Flash Point: 109.8±10.5 °C
Index of Refraction: 1.458
Molar Refractivity: 48.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.38
ACD/KOC (pH 5.5): 482.52
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.35
ACD/KOC (pH 7.4): 482.16
Polar Surface Area: 65 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 178.5±3.0 cm3

Click to predict properties on the Chemicalize site


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