ChemSpider 2D Image | Methyl (3R)-3-(methylsulfanyl)butanoate | C6H12O2S

Methyl (3R)-3-(methylsulfanyl)butanoate

  • Molecular FormulaC6H12O2S
  • Average mass148.223 Da
  • Monoisotopic mass148.055801 Da
  • ChemSpider ID34994465

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(Méthylsulfanyl)butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-(methylthio)-, methyl ester, (3R)- [ACD/Index Name]
Methyl (3R)-3-(methylsulfanyl)butanoate [ACD/IUPAC Name]
Methyl-(3R)-3-(methylsulfanyl)butanoat [German] [ACD/IUPAC Name]
207983-28-6 [RN]
METHYL 3-(METHYLTHIO)BUTANOATE
UNII-UM3BC6TPHB

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

Density: 1.0±0.1 g/cm3
Boiling Point: 193.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.0±3.0 kJ/mol
Flash Point: 76.2±10.6 °C
Index of Refraction: 1.457
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: 1.39
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.83
ACD/KOC (pH 5.5): 216.19
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.83
ACD/KOC (pH 7.4): 216.19
Polar Surface Area: 52 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 31.2±3.0 dyne/cm
Molar Volume: 145.4±3.0 cm3

Click to predict properties on the Chemicalize site


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