ChemSpider 2D Image | Ethyl (3R)-3-sulfanylbutanoate | C6H12O2S

Ethyl (3R)-3-sulfanylbutanoate

  • Molecular FormulaC6H12O2S
  • Average mass148.223 Da
  • Monoisotopic mass148.055801 Da
  • ChemSpider ID34995417

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Sulfanylbutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-mercapto-, ethyl ester, (3R)- [ACD/Index Name]
Ethyl (3R)-3-sulfanylbutanoate [ACD/IUPAC Name]
Ethyl-(3R)-3-sulfanylbutanoat [German] [ACD/IUPAC Name]
(3S)-3-mercaptobutanoic acid ethyl ester
(3S)-3-mercaptobutyric acid ethyl ester
156472-94-5 [RN]
Ethyl (3S)-3-sulfanylbutanoate [ACD/IUPAC Name]
Ethyl 3-mercaptobutyrate [ACD/IUPAC Name]
UNII-Y86NFY8S7J

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

Density: 1.0±0.1 g/cm3
Boiling Point: 189.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.6±3.0 kJ/mol
Flash Point: 69.7±10.5 °C
Index of Refraction: 1.455
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.84
ACD/KOC (pH 5.5): 228.31
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.82
ACD/KOC (pH 7.4): 227.91
Polar Surface Area: 65 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 145.5±3.0 cm3

Click to predict properties on the Chemicalize site


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