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ChemSpider 2D Image | (2S)-4-Methyl-2-[(1R)-1-sulfanylethyl]pentanoic acid | C8H16O2S

(2S)-4-Methyl-2-[(1R)-1-sulfanylethyl]pentanoic acid

  • Molecular FormulaC8H16O2S
  • Average mass176.276 Da
  • Monoisotopic mass176.087097 Da
  • ChemSpider ID59053931

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-4-Methyl-2-[(1R)-1-sulfanylethyl]pentanoic acid [ACD/IUPAC Name]
(2S)-4-Methyl-2-[(1R)-1-sulfanylethyl]pentansäure [German] [ACD/IUPAC Name]
Acide (2S)-4-méthyl-2-[(1R)-1-sulfanyléthyl]pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 2-[(1R)-1-mercaptoethyl]-4-methyl-, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 269.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.8±6.0 kJ/mol
Flash Point: 116.6±22.6 °C
Index of Refraction: 1.481
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 20.77
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 170.4±3.0 cm3

Click to predict properties on the Chemicalize site


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